SCHEMBL24439403

SCHEMBL24439403

Cc1nc(-c2sc(Cl)cc2COC(=O)N(C)CCCCF)ncc1O[C@H]1CCC[C@H](C(=O)O)C1

nearest known ligand 0.44

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
SLCO1B1 Q9Y6L6 8/20 0.44
ABCC3 O15438 2/20 0.44
ABCC4 O15439 2/20 0.44
SLCO1B3 Q9NPD5 2/20 0.44
LPAR1 Q92633 6/20 0.41
ABCB11 O95342 3/20 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
SCHEMBL29517744 1.00 SLCO1B1 (0.44) SLCO1B1ABCC3ABCC4SLCO1B3LPAR1
SCHEMBL24439612 0.93 SLCO1B1 (0.51) SLCO1B1ABCC3ABCC4SLCO1B3LPAR1
SCHEMBL29672276 0.93 SLCO1B1 (0.51) SLCO1B1ABCC3ABCC4SLCO1B3LPAR1
SCHEMBL29672289 0.92 SLCO1B1 (0.52) SLCO1B1ABCC3ABCC4SLCO1B3LPAR1
SCHEMBL24439488 0.92 SLCO1B1 (0.52) SLCO1B1ABCC3ABCC4SLCO1B3LPAR1
SCHEMBL29672239 0.92 SLCO1B1 (0.52) SLCO1B1ABCC3ABCC4SLCO1B3LPAR1
SCHEMBL24439750 0.91 SLCO1B1 (0.32) SLCO1B1ABCC3ABCC4SLCO1B3
SCHEMBL24439318 0.90 SLCO1B1 (0.45) SLCO1B1ABCC3ABCC4SLCO1B3LPAR1
SCHEMBL24439408 0.89 SLCO1B1 (0.52) SLCO1B1ABCC3ABCC4SLCO1B3LPAR1
SCHEMBL24439362 0.88 SLCO1B1 (0.54) 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