SCHEMBL9305562

SCHEMBL9305562

CC(c1ccccc1)c1cc(C(=O)[O-])c(O)c(C(C)c2ccccc2)c1.[Na+]

nearest known ligand 0.43

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
▸ GABRA1 known ✓ P14867 1/20 0.36
▸ GABRB1 known ✓ P18505 1/20 0.36
▸ CA2 known ✓ P00918 1/20 0.34
▸ CA4 known ✓ P22748 1/20 0.34
▸ VKORC1 known ✓ Q9BQB6 1/20 0.34
▸ TYR P14679 1/20 0.43
▸ PKLR P30613 1/20 0.41
▸ KDM4E B2RXH2 2/20 0.39
▸ ALDH1A1 P00352 2/20 0.39
▸ HPGD P15428 2/20 0.39
▸ GAA P10253 1/20 0.38
▸ TSHR P16473 1/20 0.38
▸ HTT P42858 1/20 0.38
▸ NPSR1 Q6W5P4 1/20 0.38
▸ MCOLN3 Q8TDD5 1/20 0.38
▸ BRD4 O60885 1/20 0.36
▸ BCL2 P10415 2/20 0.36
▸ MCL1 Q07820 1/20 0.36
▸ CTRB1 P17538 2/20 0.35
▸ LMNA P02545 1/20 0.34

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
Zinc Ion SCHEMBL931197 0.97 TYR (0.43) TYRPKLRKDM4EALDH1A1HPGD
SCHEMBL9771270 0.97 TYR (0.43) TYRPKLRKDM4EALDH1A1HPGD
SCHEMBL11759865 0.97 TYR (0.43) TYRPKLRKDM4EALDH1A1HPGD
SCHEMBL312340 0.86 TYR (0.46) TYRKDM4EALDH1A1HPGDGAA
SCHEMBL9771279 0.85 TYR (0.45) TYRKDM4EALDH1A1HPGDGAA
SCHEMBL11759875 0.85 TYR (0.45) TYRKDM4EALDH1A1HPGDGAA
SCHEMBL11759869 0.85 TYR (0.45) TYRKDM4EALDH1A1HPGDGAA
SCHEMBL931199 0.85 TYR (0.45) TYRKDM4EALDH1A1HPGDGAA
SCHEMBL8425731 0.85 TYR (0.45) TYRKDM4EALDH1A1HPGDGAA
SCHEMBL8571097 0.85 TYR (0.45) TYRKDM4EALDH1A1HPGDGAA

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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5328884-A Salicylic acid salt,and amide or sulfonamide as developer KANZAKI PAPER MANUFACTURING CO., LTD. (JP) 1994-07-12 — — US disclosed
US-5250108-A Mixture of salicylic acid salt, amide and sulfonamide compounds KANZAKI PAPER MANUFACTURING CO. LTD. (JP) 1993-10-05 — — US disclosed
EP-0322091-B1 PROCESS FOR PREPARING ZINC SALT OF SALICYCLIC ACID COMPOUND Fuji Photo Film Co., Ltd. (JP) 1993-08-11 — — EP disclosed
US-4914219-A Process for preparing zinc salt of salicylic acid compound FUJI PHOTO FILM CO., LTD. (JP) 1990-04-03 — — US disclosed
EP-0322091-A2 Process for preparing zinc salt of salicyclic acid compound Fuji Photo Film Co., Ltd. (JP) 1989-06-28 — — EP disclosed
US-4134847-A HOMOGENIZING AN AROMATIC CARBOXYLIC ACID-POLYMER-METAL CARBONATE OR OXIDE MELT KANZAKI PAPER MANUFACTURING CO., LTD. (JP) 1979-01-16 — — US disclosed
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