SCHEMBL24439780

SCHEMBL24439780

COC(=O)[C@H]1CCC[C@H](Oc2ccc(-c3sc(Cl)cc3COC(=O)N(C)[C@H](C)C3CC3)nc2C)C1

nearest known ligand 0.41

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
SLCO1B1 Q9Y6L6 7/20 0.41
ABCB11 O95342 3/20 0.41
ABCC3 O15438 2/20 0.41
ABCC4 O15439 2/20 0.41
SLCO1B3 Q9NPD5 2/20 0.41
LPAR1 Q92633 2/20 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
SCHEMBL24439588 0.93 SLCO1B1 (0.48) SLCO1B1ABCB11ABCC3ABCC4SLCO1B3
SCHEMBL24439652 0.93 SLCO1B1 (0.48) SLCO1B1ABCB11ABCC3ABCC4SLCO1B3
SCHEMBL24439591 0.89 ABCC3 (0.36) SLCO1B1ABCB11ABCC3ABCC4SLCO1B3
SCHEMBL29517382 0.88 SLCO1B1 (0.48) SLCO1B1ABCB11ABCC3ABCC4SLCO1B3
SCHEMBL24439746 0.88 SLCO1B1 (0.48) SLCO1B1ABCB11ABCC3ABCC4SLCO1B3
SCHEMBL24439386 0.88 SLCO1B1 (0.43) SLCO1B1ABCB11ABCC3ABCC4SLCO1B3
SCHEMBL24439716 0.88 SLCO1B1 (0.48) SLCO1B1ABCB11ABCC3ABCC4SLCO1B3
SCHEMBL29517589 0.88 SLCO1B1 (0.48) SLCO1B1ABCB11ABCC3ABCC4SLCO1B3
SCHEMBL24439494 0.87 SLCO1B1 (0.55) SLCO1B1ABCB11ABCC3ABCC4SLCO1B3
SCHEMBL24439365 0.87 SLCO1B1 (0.55) SLCO1B1ABCB11ABCC3ABCC4SLCO1B3

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 3 patents. 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
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
CN-114456147-A Oxygen substituted amino carbonate thiophene compounds 武汉人福创新药物研发中心有限公司 2022-05-10 CN disclosed