SCHEMBL24439729

SCHEMBL24439729

COC(=O)[C@H]1CCC[C@H](Oc2ncc(-c3sc(Cl)cc3COC(=O)N(C)C3CCCC3)nc2C)C1

nearest known ligand 0.43

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
SLCO1B1 Q9Y6L6 8/20 0.43
ABCB11 O95342 3/20 0.43
ABCC3 O15438 2/20 0.33
ABCC4 O15439 2/20 0.33
SLCO1B3 Q9NPD5 2/20 0.33
LPAR1 Q92633 1/20 0.33
MEN1 O00255 1/20 0.30
NPC1 O15118 1/20 0.30
RAB9A P51151 1/20 0.30
KMT2A Q03164 1/20 0.30
SMN1; SMN2 Q16637 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
SCHEMBL29517791 1.00 SLCO1B1 (0.43) SLCO1B1ABCB11ABCC3ABCC4SLCO1B3
SCHEMBL24439411 0.92 SLCO1B1 (0.51) SLCO1B1ABCB11ABCC3ABCC4SLCO1B3
SCHEMBL29672269 0.92 SLCO1B1 (0.51) SLCO1B1ABCB11ABCC3ABCC4SLCO1B3
SCHEMBL24439741 0.90 SLCO1B1 (0.39) SLCO1B1ABCB11MEN1NPC1RAB9A
SCHEMBL24439386 0.88 SLCO1B1 (0.43) SLCO1B1ABCB11ABCC3ABCC4SLCO1B3
SCHEMBL24439352 0.86 SLCO1B1 (0.40) SLCO1B1ABCB11ABCC3ABCC4SLCO1B3
SCHEMBL29577386 0.86 ABCB11 (0.38) SLCO1B1ABCB11LPAR1NPC1RAB9A
SCHEMBL24439681 0.86 ABCB11 (0.38) SLCO1B1ABCB11LPAR1NPC1RAB9A
SCHEMBL24441488 0.85 ABCB11 (0.38) SLCO1B1ABCB11
SCHEMBL24439624 0.81 SLCO1B1 (0.50) SLCO1B1ABCB11LPAR1MEN1NPC1

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