SCHEMBL11501260

SCHEMBL11501260

CC(C=CC(=O)O)c1ccc(-c2ccccc2)cc1

nearest known ligand 0.55

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 2/20 0.55
KDM4E B2RXH2 2/20 0.45
MAPT P10636 2/20 0.45
ALDH1A1 P00352 1/20 0.45
HCAR2 Q8TDS4 1/20 0.44
MAPK1 P28482 1/20 0.43
CYP1A2 P05177 1/20 0.42
GAA P10253 1/20 0.42
CYP2C9 P11712 1/20 0.42
PKM P14618 1/20 0.42
CYP2C19 P33261 1/20 0.42
PDCD1 Q15116 1/20 0.42
CD274 Q9NZQ7 1/20 0.42
ACP3 P15309 2/20 0.42
SMN1; SMN2 Q16637 1/20 0.41
FFAR1 O14842 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
SCHEMBL5704861 0.89 HCAR2 (0.53) KDM4EHCAR2MAPK1CYP1A2
SCHEMBL2347397 0.89 HCAR2 (0.53) KDM4EHCAR2MAPK1CYP1A2
SCHEMBL11757511 0.80 PTGS2 (0.47) PTGS2KDM4EMAPTALDH1A1HCAR2
SCHEMBL11757521 0.80 PTGS2 (0.47) PTGS2KDM4EMAPTALDH1A1HCAR2
SCHEMBL28096265 0.76 KDM4E (0.42) KDM4EMAPTALDH1A1MAPK1GAA
SCHEMBL9721540 0.76 PTGS2 (0.43) PTGS2KDM4EMAPTALDH1A1ACP3
SCHEMBL11439819 0.76 ATG4B (0.45) KDM4EALDH1A1MAPK1CYP1A2PKM
SCHEMBL11439822 0.76 ATG4B (0.45) KDM4EALDH1A1MAPK1CYP1A2PKM
SCHEMBL5229228 0.76 TDP1 (0.48) MAPTHCAR2MAPK1CYP1A2
SCHEMBL5229224 0.76 TDP1 (0.48) MAPTHCAR2MAPK1CYP1A2

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
EP-0020230-A2 p-Biphenyl-4-methyl-2-butenoic acids, process for their preparation, pharmaceutical compositions containing them and their use PIERRE FABRE S.A. (FR) 1980-12-10 EP disclosed