SCHEMBL11277830

SCHEMBL11277830

CCCCCCCCc1ccccc1C(=O)[O-].[Na+]

nearest known ligand 0.53

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
PPARG known ✓ P37231 1/20 0.49
THRA known ✓ P10827 1/20 0.48
THRB known ✓ P10828 1/20 0.48
CYSLTR1 known ✓ Q9Y271 7/20 0.47
LIPG Q9Y5X9 1/20 0.53
BID P55957 3/20 0.49
MCL1 Q07820 3/20 0.49
BCL2L1 Q07817 2/20 0.49
BAK1 Q16611 2/20 0.49
KAT8 Q9H7Z6 2/20 0.49
PPARA Q07869 2/20 0.49
EP300 Q09472 1/20 0.49
KAT2A Q92830 1/20 0.49
KAT2B Q92831 1/20 0.49
KAT5 Q92993 1/20 0.49
SAE1 Q9UBE0 1/20 0.49
CYSLTR2 Q9NS75 7/20 0.47
TSHR P16473 1/20 0.46
ALDH1A1 P00352 1/20 0.46
LMNA P02545 1/20 0.46

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
SCHEMBL11803044 1.00 LIPG (0.53) LIPGBIDMCL1BCL2L1BAK1
SCHEMBL10424886 1.00 LIPG (0.53) LIPGBIDMCL1BCL2L1BAK1
SCHEMBL8880369 0.98 LIPG (0.50) LIPGBIDMCL1BCL2L1BAK1
Potassium Ion SCHEMBL1841509 0.97 LIPG (0.53) LIPGBIDMCL1BCL2L1BAK1
SCHEMBL7920926 0.97 LIPG (0.53) LIPGBIDMCL1BCL2L1BAK1
SCHEMBL7920922 0.97 LIPG (0.53) LIPGBIDMCL1BCL2L1BAK1
Lithium Ion SCHEMBL5172496 0.97 LIPG (0.53) LIPGBIDMCL1BCL2L1BAK1
SCHEMBL9791362 0.97 LIPG (0.53) LIPGBIDMCL1BCL2L1BAK1
SCHEMBL11126169 0.97 LIPG (0.53) LIPGBIDMCL1BCL2L1BAK1
Lithium Ion SCHEMBL19614626 0.97 LIPG (0.53) LIPGBIDMCL1BCL2L1BAK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4322515-A FROM LIQUID PYROLYZATES OF PETROLEUM HYDROCARBONS USING A PEROXIDE AND A CARBOXY ACID METAL SALT ALIEV SAKHIB M O 1982-03-30 US disclosed