SCHEMBL24439384

SCHEMBL24439384

CCCNC(=O)OCc1cc(Cl)sc1-c1ccc(O[C@H]2CCC[C@H](C(=O)O)C2)c(C)n1

nearest known ligand 0.47

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
SLCO1B1 Q9Y6L6 7/20 0.47
ABCC3 O15438 2/20 0.47
ABCC4 O15439 2/20 0.47
SLCO1B3 Q9NPD5 2/20 0.47
LPAR1 Q92633 7/20 0.44
ABCB11 O95342 3/20 0.43
RORC P51449 3/20 0.32
RAB9A P51151 1/20 0.31
CCNE1 P24864 2/20 0.30
CDK2 P24941 2/20 0.30
PDE4A P27815 1/20 0.30
PDE4B Q07343 1/20 0.30
PDE4C Q08493 1/20 0.30
PDE4D Q08499 1/20 0.30

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
SCHEMBL29672231 1.00 SLCO1B1 (0.47) SLCO1B1ABCC3ABCC4SLCO1B3LPAR1
SCHEMBL24439788 0.93 SLCO1B1 (0.40) SLCO1B1ABCC3ABCC4SLCO1B3LPAR1
SCHEMBL29518045 0.93 SLCO1B1 (0.40) SLCO1B1ABCC3ABCC4SLCO1B3LPAR1
SCHEMBL29672272 0.93 LPAR1 (0.44) SLCO1B1ABCC3ABCC4SLCO1B3LPAR1
SCHEMBL24439385 0.90 ABCC3 (0.34) SLCO1B1ABCC3ABCC4SLCO1B3LPAR1
SCHEMBL24439372 0.89 LPAR1 (0.45) SLCO1B1ABCC3ABCC4SLCO1B3LPAR1
SCHEMBL24441422 0.87 LPAR1 (0.52) SLCO1B1ABCC3ABCC4SLCO1B3LPAR1
SCHEMBL24439677 0.86 LPAR1 (0.38) SLCO1B1ABCC3ABCC4SLCO1B3LPAR1
SCHEMBL24439377 0.86 SLCO1B1 (0.64) SLCO1B1ABCC3ABCC4SLCO1B3LPAR1
SCHEMBL29672283 0.86 SLCO1B1 (0.64) SLCO1B1ABCC3ABCC4SLCO1B3LPAR1

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
WO-2022100624-A1 OXY-SUBSTITUTED AMINOCARBONATE THIOPHENE-BASED COMPOUND AND USE THEREOF 武汉人福创新药物研发中心有限公司 2022-05-19 WO disclosed