SCHEMBL11667831

SCHEMBL11667831

Cc1cc(C(=O)O)c(-c2ccccc2)c(-c2ccccc2)c1-c1ccccc1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ FABP4 P15090 2/20 0.49
▸ LDHA P00338 1/20 0.49
▸ ALDH1A1 P00352 6/20 0.46
▸ MYC P01106 1/20 0.46
▸ KDM4E B2RXH2 2/20 0.44
▸ HPGD P15428 2/20 0.44
▸ HSD17B10 Q99714 2/20 0.44
▸ MEN1 O00255 1/20 0.44
▸ HTT P42858 1/20 0.44
▸ GFER P55789 1/20 0.44
▸ KMT2A Q03164 1/20 0.44
▸ MCL1 Q07820 3/20 0.44
▸ TTR P02766 1/20 0.44
▸ DHODH Q02127 3/20 0.43
▸ HNF4A P41235 3/20 0.43
▸ ACMSD Q8TDX5 2/20 0.43
▸ DHFR P00374 1/20 0.43
▸ ALOX15 P16050 1/20 0.43
▸ RPA1 P27694 1/20 0.41
▸ FABP3 P05413 1/20 0.41

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
SCHEMBL11586143 0.85 ALDH1A1 (0.47) FABP4LDHAALDH1A1MYCKMT2A
SCHEMBL6193196 0.83 FABP4 (0.47) FABP4LDHAALDH1A1MYCKDM4E
SCHEMBL27588778 0.81 TTR (0.53) FABP4LDHAALDH1A1MYCKDM4E
SCHEMBL11492330 0.80 FABP4 (0.45) FABP4LDHAALDH1A1MYCKDM4E
SCHEMBL27458636 0.80 TTR (0.59) FABP4LDHAALDH1A1KDM4EHPGD
SCHEMBL28289969 0.79 FABP4 (0.44) FABP4LDHAALDH1A1MYCKDM4E
SCHEMBL28410944 0.78 HNF4A (0.53) FABP4ALDH1A1KDM4EHPGDHSD17B10
SCHEMBL30753447 0.78 ALDH1A1 (0.47) FABP4LDHAALDH1A1MYCKDM4E
SCHEMBL6027598 0.78 RXRA (0.55) FABP4LDHAALDH1A1KDM4EHPGD
SCHEMBL27673049 0.78 FABP4 (0.43) FABP4LDHAALDH1A1MYCMEN1

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-4092353-A Process for the purification of benzoic acid BAYER AKTIENGESELLSCHAFT (DT) 1978-05-30 — — US claimed
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