SCHEMBL24439596

SCHEMBL24439596

Cc1nc(-c2sc(Cl)cc2COC(=O)N(C)CCC2CC2)ccc1O[C@H]1CCC[C@H](C)C1

nearest known ligand 0.45

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
SLCO1B1 Q9Y6L6 5/20 0.45
ABCC3 O15438 2/20 0.45
ABCC4 O15439 2/20 0.45
SLCO1B3 Q9NPD5 2/20 0.45
ABCB11 O95342 2/20 0.43
LPAR1 Q92633 2/20 0.43

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
SCHEMBL24439463 0.92 SLCO1B1 (0.42) SLCO1B1ABCC3ABCC4SLCO1B3ABCB11
SCHEMBL24439410 0.91 SLCO1B1 (0.55) SLCO1B1ABCC3ABCC4SLCO1B3ABCB11
SCHEMBL29517743 0.90 SLCO1B1 (0.47) SLCO1B1ABCC3ABCC4SLCO1B3ABCB11
SCHEMBL24439699 0.86 SCD (0.35) SLCO1B1ABCC3ABCC4SLCO1B3ABCB11
SCHEMBL24439719 0.84 SLCO1B1 (0.48) SLCO1B1ABCC3ABCC4SLCO1B3ABCB11
SCHEMBL24439381 0.84 SLCO1B1 (0.50) SLCO1B1ABCC3ABCC4SLCO1B3ABCB11
SCHEMBL24439377 0.84 SLCO1B1 (0.64) SLCO1B1ABCC3ABCC4SLCO1B3ABCB11
SCHEMBL29672296 0.84 SLCO1B1 (0.64) SLCO1B1ABCC3ABCC4SLCO1B3ABCB11
SCHEMBL29672283 0.84 SLCO1B1 (0.64) SLCO1B1ABCC3ABCC4SLCO1B3ABCB11
SCHEMBL24439366 0.83 SLCO1B1 (0.51) SLCO1B1ABCC3ABCC4SLCO1B3ABCB11

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