SCHEMBL24439652

SCHEMBL24439652

Cc1nc(-c2sc(Cl)cc2COC(=O)N(C)[C@H](C)C2CC2)ccc1O[C@H]1CCC[C@H](C(=O)O)C1

nearest known ligand 0.48

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
SLCO1B1 Q9Y6L6 8/20 0.48
LPAR1 Q92633 6/20 0.48
ABCB11 O95342 3/20 0.48
ABCC3 O15438 2/20 0.48
ABCC4 O15439 2/20 0.48
SLCO1B3 Q9NPD5 2/20 0.48
RORC P51449 2/20 0.31

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 1.00 SLCO1B1 (0.48) SLCO1B1LPAR1ABCB11ABCC3ABCC4
SCHEMBL24439780 0.93 SLCO1B1 (0.41) SLCO1B1LPAR1ABCB11ABCC3ABCC4
SCHEMBL24439591 0.90 ABCC3 (0.36) SLCO1B1LPAR1ABCB11ABCC3ABCC4
SCHEMBL24439701 0.88 SLCO1B1 (0.44) SLCO1B1LPAR1ABCB11ABCC3ABCC4
SCHEMBL24439402 0.88 SLCO1B1 (0.56) SLCO1B1LPAR1ABCB11ABCC3ABCC4
SCHEMBL29672271 0.88 SLCO1B1 (0.56) SLCO1B1LPAR1ABCB11ABCC3ABCC4
SCHEMBL24439383 0.88 SLCO1B1 (0.51) SLCO1B1LPAR1ABCB11ABCC3ABCC4
SCHEMBL24439360 0.88 SLCO1B1 (0.56) SLCO1B1LPAR1ABCB11ABCC3ABCC4
SCHEMBL29672266 0.88 SLCO1B1 (0.56) SLCO1B1LPAR1ABCB11ABCC3ABCC4
SCHEMBL24439370 0.87 SLCO1B1 (0.64) SLCO1B1LPAR1ABCB11ABCC3ABCC4

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 2 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