SCHEMBL7744440

SCHEMBL7744440

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

nearest known ligand 0.42

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
CA1 known ✓ P00915 2/20 0.42
CA2 known ✓ P00918 2/20 0.42
CA12 known ✓ O43570 1/20 0.42
CA7 P43166 2/20 0.42
CA9 Q16790 2/20 0.42
CA14 Q9ULX7 1/20 0.42
NR1I2 O75469 1/20 0.38
HDAC3 O15379 1/20 0.38
HDAC1 Q13547 1/20 0.38
HDAC2 Q92769 1/20 0.38
ACHE P22303 1/20 0.37
AHR P35869 1/20 0.37
IDO1 P14902 1/20 0.36
CASP3 P42574 1/20 0.36
SENP8 Q96LD8 1/20 0.36
SENP7 Q9BQF6 1/20 0.36
SENP6 Q9GZR1 1/20 0.36
CNR1 P21554 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
HRH2 P25021 1/20 0.36

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
SCHEMBL307630 0.98 CA1 (0.44) CA1CA2CA7CA9CA12
SCHEMBL8772310 0.96 CA1 (0.42) CA1CA2CA7CA9CA12
Ammonia Solution, Strong SCHEMBL8567877 0.94 CA12 (0.41) CA1CA2CA7CA9CA12
SCHEMBL8571916 0.93 CA12 (0.39) CA1CA2CA7CA9CA12
Tetramethylammonium Ion SCHEMBL3452709 0.93 CA12 (0.39) CA1CA2CA7CA9CA12
SCHEMBL307357 0.91 CNR1 (0.41) CA1CA2CA7CA9CA12
SCHEMBL21102044 0.91 CNR1 (0.41) CA1CA2CA7CA9CA12
SCHEMBL306975 0.91 CNR1 (0.41) CA1CA2CA7CA9CA12
SCHEMBL7101584 0.91 CA12 (0.41) CA1CA2CA7CA9CA12
SCHEMBL8568803 0.90 CA12 (0.37) CA1CA2CA7CA9CA12

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