SCHEMBL29601717

SCHEMBL29601717

Cc1nc(-c2sc(Cl)cc2CN(C)C(=O)OCCCCF)ccc1O[C@H]1CCC[C@H](C(=O)O)C1

nearest known ligand 0.47

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
SLCO1B1 Q9Y6L6 8/20 0.47
LPAR1 Q92633 6/20 0.47
ABCB11 O95342 3/20 0.47
ABCC3 O15438 2/20 0.47
ABCC4 O15439 2/20 0.47
SLCO1B3 Q9NPD5 2/20 0.47
RORC P51449 2/20 0.32
FFAR4 Q5NUL3 1/20 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
SCHEMBL24441505 1.00 SLCO1B1 (0.47) SLCO1B1LPAR1ABCB11ABCC3ABCC4
SCHEMBL24441419 0.93 SLCO1B1 (0.52) SLCO1B1LPAR1ABCB11ABCC3ABCC4
SCHEMBL29576284 0.93 SLCO1B1 (0.52) SLCO1B1LPAR1ABCB11ABCC3ABCC4
SCHEMBL29576545 0.91 SLCO1B1 (0.53) SLCO1B1LPAR1ABCB11ABCC3ABCC4
SCHEMBL24441042 0.91 SLCO1B1 (0.53) SLCO1B1LPAR1ABCB11ABCC3ABCC4
SCHEMBL24441747 0.91 ABCC3 (0.35) SLCO1B1LPAR1ABCB11ABCC3ABCC4
SCHEMBL29672237 0.89 SLCO1B1 (0.54) SLCO1B1LPAR1ABCB11ABCC3ABCC4
SCHEMBL24439362 0.89 SLCO1B1 (0.54) SLCO1B1LPAR1ABCB11ABCC3ABCC4
SCHEMBL29672281 0.89 SLCO1B1 (0.54) SLCO1B1LPAR1ABCB11ABCC3ABCC4
SCHEMBL24441029 0.88 SLCO1B1 (0.52) 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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2022100625-A1 NITROGEN-SUBSTITUTED AMINOCARBONATE THIOPHENE 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