SCHEMBL11264258

SCHEMBL11264258

COc1ccc(CCCC(=O)O)c(N(C)C(=O)c2ccc(Cl)cc2)c1

nearest known ligand 0.53

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
POLB P06746 2/20 0.45
AKR1C3 P42330 4/20 0.44
AKR1C2 P52895 4/20 0.44
PTGS1 P23219 3/20 0.44
AKR1C4 P17516 3/20 0.44
AKR1C1 Q04828 2/20 0.44
AR P10275 1/20 0.44
PDE4B Q07343 1/20 0.44
HPGD P15428 2/20 0.42
ALDH1A1 P00352 1/20 0.41
CYP1A2 P05177 1/20 0.41
CYP2C19 P33261 1/20 0.41
HSD17B10 Q99714 1/20 0.41
HSD17B1 P14061 1/20 0.41
HSD17B2 P37059 1/20 0.41
PPARG P37231 1/20 0.41
PPARA Q07869 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
SCHEMBL11257808 0.86 MAPT (0.44) POLBALDH1A1PPARGPPARA
SCHEMBL11255842 0.82 ALDH1A1 (0.40) POLBALDH1A1HSD17B10
SCHEMBL11265227 0.82 HSD17B10 (0.46) POLBAKR1C3AKR1C2PTGS1PDE4B
SCHEMBL11259896 0.82 CDK4 (0.39) HPGDALDH1A1
SCHEMBL11267339 0.81 POLB (0.43) POLBPDE4BHPGDALDH1A1CYP1A2
SCHEMBL9687675 0.80 POLB (0.56) POLBPDE4BHPGDALDH1A1CYP1A2
SCHEMBL11259485 0.79 LTB4R (0.44) POLBALDH1A1
SCHEMBL11259607 0.78 MAPT (0.44) POLBALDH1A1PPARGPPARA
SCHEMBL11275814 0.76 ABCB1 (0.43) POLBAKR1C3AKR1C2PTGS1HPGD
SCHEMBL19577299 0.74 MAPT (0.39) HPGDALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4322439-A ω-[2-(N-Lower alkyl-benzamido)-phenyl]-alkanoic acids, their use, and medicaments containing them BYK GULDEN LOMBERG CHEMISCHE FABRIK GMBH (DE) 1982-03-30 US disclosed
WO-1979000586-A1 W-(2-N-LOWER ALKYL-BENZAMIDO)-PHENYL)-ALKANOIC ACIDS,THEIR USE AND PREPARATION,AND MEDICAMENTS CONTAINING THEM BYK GULDEN LOMBERG CHEM FAB (DE) 1979-08-23 WO disclosed