SCHEMBL28601998

SCHEMBL28601998

COC(=O)Cc1ccc(-c2onc(C)c2NC(=O)O[C@H](C)c2ccccc2)cc1

nearest known ligand 0.84

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
LPAR1 Q92633 14/20 0.84
LPAR3 Q9UBY5 7/20 0.77
LPAR2 Q9HBW0 2/20 0.66
ABCC3 O15438 1/20 0.65
ABCC4 O15439 1/20 0.65
ABCB11 O95342 1/20 0.65
CYP2C8 P10632 1/20 0.65
CYP2C9 P11712 1/20 0.65
ABCB4 P21439 1/20 0.65
ABCC2 Q92887 1/20 0.65
SLCO1B3 Q9NPD5 1/20 0.65
SLCO1B1 Q9Y6L6 1/20 0.65
KLK7 P49862 4/20 0.43
KDM4E B2RXH2 1/20 0.42
MAPT P10636 1/20 0.42
GAA P10253 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
HRH1 P35367 1/20 0.38

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
SCHEMBL12070816 0.92 LPAR1 (0.84) LPAR1LPAR3LPAR2ABCC3ABCC4
SCHEMBL2293657 0.92 LPAR1 (0.82) LPAR1LPAR3LPAR2ABCC3ABCC4
SCHEMBL2292240 0.92 LPAR1 (0.82) LPAR1LPAR3LPAR2ABCC3ABCC4
SCHEMBL2292246 0.92 LPAR1 (0.82) LPAR1LPAR3LPAR2ABCC3ABCC4
SCHEMBL15280711 0.91 LPAR1 (0.85) LPAR1LPAR3LPAR2ABCC3ABCC4
SCHEMBL2288084 0.91 LPAR1 (1.00) LPAR1LPAR3LPAR2ABCC3ABCC4
SCHEMBL2288090 0.91 LPAR1 (1.00) LPAR1LPAR3LPAR2ABCC3ABCC4
SCHEMBL2296696 0.91 LPAR1 (1.00) LPAR1LPAR3LPAR2ABCC3ABCC4
SCHEMBL12070818 0.90 LPAR1 (0.80) LPAR1LPAR3LPAR2ABCC3ABCC4
SCHEMBL29354386 0.89 LPAR1 (0.85) LPAR1LPAR3LPAR2ABCC3ABCC4

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
CN-105142635-B Heterocyclic compounds useful for the treatment of diseases 艾匹根生物技术有限公司 2021-07-27 CN disclosed