SCHEMBL8505449

SCHEMBL8505449

CCC(c1ccccc1)C(CC=O)(C(=O)O)c1ccc(-c2ccc(Cl)cc2)cc1

nearest known ligand 0.38

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
PTGDR2 Q9Y5Y4 1/20 0.38
NPSR1 Q6W5P4 1/20 0.36
PPARG P37231 3/20 0.36
PPARA Q07869 3/20 0.36
UTS2R Q9UKP6 9/20 0.36
MEN1 O00255 1/20 0.36
MAPT P10636 1/20 0.36
KMT2A Q03164 1/20 0.36
KDM4E B2RXH2 1/20 0.35
GAA P10253 1/20 0.35
FFAR1 O14842 1/20 0.34
GPR139 Q6DWJ6 1/20 0.34
CYP2C9 P11712 1/20 0.34

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
SCHEMBL15918883 0.71 GRM2 (0.38) NPSR1MEN1KMT2ACYP2C9
SCHEMBL7353628 0.67 MMP2 (0.42) PTGDR2NPSR1MEN1MAPTKMT2A
SCHEMBL7353635 0.67 MMP2 (0.42) PTGDR2NPSR1MEN1MAPTKMT2A
SCHEMBL8690818 0.67 MMP2 (0.42) PTGDR2NPSR1MEN1MAPTKMT2A
SCHEMBL5916381 0.66 LMNA (0.44) MEN1KMT2AKDM4EFFAR1CYP2C9
SCHEMBL8692922 0.66 ALDH1A1 (0.40) PPARGPPARAMAPTGAA
SCHEMBL8505443 0.66 ALDH1A1 (0.40) PPARGPPARAMAPTGAA
SCHEMBL8688113 0.66 ALDH1A1 (0.40) PPARGPPARAMAPTGAA
SCHEMBL10803560 0.66 CYP2C9 (0.49) MAPTKMT2AGAAFFAR1CYP2C9
SCHEMBL27594813 0.65 RIPK1 (0.43) MEN1KMT2AGAACYP2C9

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-5939583-A ANTIARTHRITIC AGENTS; BONE, CARDIOVASCULAR, BRAIN, NERVOUS SYSTEM DISORDERS; ANTITUMOR AND ANTIMETASTASIS AGENTS BAYER CORPORATION (US) 1999-08-17 US disclosed