SCHEMBL8465723

SCHEMBL8465723

CCC(C)(C)c1cc(CCCCCCC(C)C)c(O)c(C(=O)[O-])c1.[Na+]

nearest known ligand 0.33

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 1)

geneUniProtsupporting neighboursconfidence
FUT7 Q11130 1/20 0.33

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
Potassium Ion SCHEMBL8462356 0.98 FUT7 (0.30) FUT7
Zinc Ion SCHEMBL8465269 0.98 FUT7 (0.30) FUT7
SCHEMBL8460391 0.90 FUT7 (0.34) FUT7
SCHEMBL8461746 0.89 FUT7 (0.34) FUT7
SCHEMBL8462353 0.89 FUT7 (0.34) FUT7
SCHEMBL8460389 0.89 CNR1 (0.37)
SCHEMBL5885464 0.88 KAT8 (0.33)
Zinc Ion SCHEMBL8465162 0.87 CYP3A4 (0.33) FUT7
Potassium Ion SCHEMBL8464550 0.87 CYP3A4 (0.33) FUT7
Potassium Ion SCHEMBL8461114 0.87 CYP2C19 (0.33) FUT7

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0548906-B1 Method for preparing nuclear-substituted salicylic acid metal salts and color developer for pressure-sensitive recording sheets SANKO KAIHATSU KAGAKU KENK (JP) 1999-03-31 EP disclosed
US-5393332-A Salt of salicylic acid SANKO KAIHATSU KAGAKU KENKYUSHO (JP) 1995-02-28 US disclosed
EP-0548906-A2 Method for preparing nuclear-substituted salicylic acids and metal salts thereof Sanko Kaihatsu Kagaku Kenkyusho (JP) 1993-06-30 EP disclosed