SCHEMBL7744441

SCHEMBL7744441

[BH3-]CCCC(c1ccc(OC)cc1)(c1ccc(OC)cc1)c1ccc(OC)cc1.[Na+]

nearest known ligand 0.58

Known targets — ChEMBL curated mechanism

ABCC8ACEADORA1ADORA2AADORA2BADORA3ALDH5A1ALOX5ALOX5APATP4AATP4BBRAFCA1CA12CA2CA4CYSLTR1DHFRDPEP1EDNRAEDNRBESR2F10FDPSFGF1GABBR1GABBR2GABRA1GABRA2GABRA3GABRA4GABRA5GABRA6GABRB1GABRB2GABRB3GABRDGABREGABRG1GABRG2GABRG3GABRPGABRQGARTGNRHRGSC1HMGCRIMPDH1IMPDH2KCNJ11LY96NOD2NR3C1NS3NS4ANS5bP2RY1P2RY12P2RY2P2RY4P2RY6PBP2XPDE3APDE3BPDE4APDE4BPDE4CPDE4DPDK1PDK2PDK3PDK4PPARGPPATPTGIRPTGS1PTGS2RAF1RYR1RYR3SCN10ASCN11ASCN1ASCN2ASCN3ASCN4ASCN5ASCN7ASCN8ASCN9ASERPINC1SLC12A1SLC12A3SYKTHRATHRBTLR3TLR4TLR9TUBA1ATUBA1BTUBA1CTUBA3CTUBA3ETUBA4ATUBBTUBB1TUBB2ATUBB2BTUBB3TUBB4ATUBB4BTUBB6TUBB8TYMSVKORC1XDHblablaIMP-1blaOXA-33blaOXA-58blaT-3blaT-4blaT-5blaT-6dacAdacBdacCfolAfolPfolP1ftsIfusAgaggyrAgyrBmecAmrcAmrcBmrdApbp1apbp1bpbp2pbp2apbp2bpbp3pbp4pbpApbpBpbpCpbpFpolponBrplArplBrplCrplDrplErplFrplJrplKrplLrplMrplNrplOrplPrplQrplRrplSrplTrplUrplVrplWrplXrplYrpmArpmBrpmCrpmDrpmErpmFrpmGrpmHrpmIrpmJrpoArpoBrpoCrpoZrpsArpsBrpsCrpsDrpsErpsFrpsGrpsHrpsIrpsJrpsKrpsLrpsMrpsNrpsOrpsPrpsQrpsRrpsSrpsTrpsUykgMykgO

The experimentally established mechanism targets of None. The predicted profile below is derived independently by chemical similarity — agreement is a validation signal, a miss is honest.

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CA12 known ✓ O43570 1/20 0.41
▸ CA1 known ✓ P00915 1/20 0.41
▸ CA2 known ✓ P00918 1/20 0.41
▸ KIF11 P52732 8/20 0.58
▸ KCNH2 Q12809 1/20 0.58
▸ CA7 P43166 1/20 0.41
▸ CA9 Q16790 1/20 0.41
▸ CA14 Q9ULX7 1/20 0.41
▸ ALDH1A1 P00352 2/20 0.37
▸ LMNA P02545 2/20 0.37
▸ ALOX15 P16050 1/20 0.37
▸ APEX1 P27695 1/20 0.37
▸ MAPK1 P28482 1/20 0.37
▸ RECQL P46063 1/20 0.37
▸ HSD17B10 Q99714 1/20 0.37
▸ TDP1 Q9NUW8 1/20 0.37
▸ AOC3 Q16853 1/20 0.37
▸ ACHE P22303 1/20 0.35
▸ IDO1 P14902 1/20 0.35
▸ HTT P42858 1/20 0.35

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL8772316 0.96 KIF11 (0.58) KIF11KCNH2CA12CA1CA2
Tetramethylammonium Ion SCHEMBL3452711 0.93 KIF11 (0.55) KIF11KCNH2CA12CA1CA2
SCHEMBL1618139 0.79 KIF11 (0.60) KIF11KCNH2CA12CA1CA2
SCHEMBL3185263 0.78 KIF11 (0.58) KIF11KCNH2ALDH1A1
SCHEMBL10877618 0.75 KIF11 (0.73) KIF11KCNH2ALDH1A1LMNAHTT
SCHEMBL7706703 0.75 KIF11 (0.73) KIF11KCNH2ALDH1A1LMNAHTT
SCHEMBL7747170 0.74 KIF11 (0.59) KIF11KCNH2
SCHEMBL15212059 0.74 KIF11 (0.71) KIF11KCNH2LMNAHTT
SCHEMBL22150730 0.74 KIF11 (0.71) KIF11KCNH2LMNAHTT
SCHEMBL5528724 0.73 KIF11 (0.53) KIF11KCNH2CA12CA1CA2

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 27 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6190824-B1 POLYMERIZABLE MONOMER, A PHOTOPOLYMERIZATION INITIATOR, AND A DIAZONIUM SALT HAVING A SPECIFIC, BORON ANION PORTION FUJI PHOTO FILM CO., LTD. (JP) 2001-02-20 — — US disclosed
EP-0599993-B1 A HARD COPY IMAGING SYSTEM EASTMAN KODAK CO (US) 1995-08-02 — — EP disclosed
EP-0339841-B1 Photosensitive compositions and materials MEAD CORP (US) 1995-07-05 — — EP disclosed
EP-0389067-B1 Ionic dye compounds MEAD CORP (US) 1994-10-19 — — EP disclosed
EP-0599993-A1 A HARD COPY IMAGING SYSTEM. EASTMAN KODAK CO (US) 1994-06-08 — — EP disclosed
US-5252425-A Hard copy imaging system EASTMAN KODAK COMPANY (US) 1993-10-12 — — US disclosed
WO-1993003927-A1 A HARD COPY IMAGING SYSTEM EASTMAN KODAK COMPANY (US) 1993-03-04 — — WO disclosed
US-5151520-A Cyanine, carbocyanine, hemicyanine, rhodamine and azamethine dyes THE MEAD CORPORATION (US) 1992-09-29 — — US disclosed
US-5035621-A Photohardenable Dental Adhesive MEAD CORPORATION (US) 1991-07-30 — — US disclosed
EP-0434437-A2 Photohardenable or thermohardenable compositions and photosensitive materials utilising such photohardenable compositions THE MEAD CORPORATION (US) 1991-06-26 — — EP disclosed
US-4865942-A CYANINE DYES THE MEAD CORPORATION (US) 1989-09-12 — — US disclosed
US-4842980-A ABSORBING ACTINIC RADIATION AND PRODUCING FREE RADICALS THE MEAD CORPORATION (US) 1989-06-27 — — US disclosed
EP-0301769-A2 Radiation-curable compositions and their use for printing and coating THE MEAD CORPORATION (US) 1989-02-01 — — EP disclosed
US-4801392-A FREE RADICAL POLYMERIZATION OR CROSSLINKING THE MEAD CORPORATION (US) 1989-01-31 — — US disclosed
US-4800149-A FREE RADICAL GENERATION AND CROSSLINKING THE MEAD CORPORATION (US) 1989-01-24 — — US disclosed
US-4788124-A IONIC DYE-REACTIVE COUNTER ION COMPOUND THE MEAD CORPORATION (US) 1988-11-29 — — US disclosed
US-4772530-A XANTHENE AND OXONOL DYES THE MEAD CORPORATION (US) 1988-09-20 — — US disclosed
US-4772541-A SENSITIVE AT LONGER WAVELENGTHS THE MEAD CORPORATION (US) 1988-09-20 — — US disclosed
EP-0277034-A2 Lamination of two substrates THE MEAD CORPORATION (US) 1988-08-03 — — EP disclosed
US-4751102-A FOR PHOTOHARDENABLE FREE RADICAL ADDITION POLYMERIZABLE OR CROSSLINKABLE COMPOUND THE MEAD CORPORATION (US) 1988-06-14 — — US disclosed
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