SCHEMBL11434871

SCHEMBL11434871

CCCCCCCCCCCCc1cc2ccccc2c(O)c1C(=O)O

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BID P55957 5/20 0.55
MCL1 Q07820 5/20 0.55
BCL2L1 Q07817 4/20 0.55
BAK1 Q16611 4/20 0.55
PPARA Q07869 4/20 0.55
KAT8 Q9H7Z6 3/20 0.55
PPARG P37231 3/20 0.55
SAE1 Q9UBE0 2/20 0.55
EP300 Q09472 2/20 0.55
KAT5 Q92993 2/20 0.55
KAT2A Q92830 1/20 0.55
KAT2B Q92831 1/20 0.55
F7 P08709 3/20 0.48
F3 P13726 3/20 0.48
MMP2 P08253 2/20 0.48
MAPT P10636 2/20 0.48
KDM4E B2RXH2 1/20 0.48
ALOX15 P16050 1/20 0.48
ECE1 P42892 1/20 0.48
SGMS1 Q86VZ5 1/20 0.48

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
SCHEMBL5272121 0.90 BID (0.56) BIDMCL1BCL2L1BAK1PPARA
SCHEMBL5270254 0.90 BID (0.56) BIDMCL1BCL2L1BAK1PPARA
SCHEMBL5270877 0.90 BID (0.56) BIDMCL1BCL2L1BAK1PPARA
SCHEMBL5271656 0.90 BID (0.56) BIDMCL1BCL2L1BAK1PPARA
SCHEMBL5271467 0.90 BID (0.56) BIDMCL1BCL2L1BAK1PPARA
SCHEMBL5272000 0.90 BID (0.56) BIDMCL1BCL2L1BAK1PPARA
SCHEMBL5575880 0.89 BID (0.54) BIDMCL1BCL2L1BAK1PPARA
SCHEMBL7184877 0.89 BID (0.54) BIDMCL1BCL2L1BAK1PPARA
SCHEMBL29834162 0.84 BID (0.49) BIDMCL1BCL2L1BAK1PPARA
SCHEMBL1176173 0.84 BID (0.51) BIDMCL1BCL2L1BAK1PPARA

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-4234509-A METAL SALTS OF CARBOXYLIC OR SULFONIC ACIDS HOECHST AKTIENGESELLSCHAFT (DE) 1980-11-18 US disclosed