SCHEMBL24439720

SCHEMBL24439720

COC(=O)[C@H]1CCC[C@H](Oc2ccc(-c3sc(Cl)cc3COC(=O)N(C)C3CCCC3)cc2F)C1

nearest known ligand 0.40

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
SLCO1B1 Q9Y6L6 6/20 0.40
ABCB11 O95342 2/20 0.36
FFAR4 Q5NUL3 2/20 0.33
DPP4 P27487 1/20 0.32
DPP8 Q6V1X1 1/20 0.32
DPP9 Q86TI2 1/20 0.32
DPP7 Q9UHL4 1/20 0.32
ABCC3 O15438 2/20 0.31
ABCC4 O15439 2/20 0.31
SLCO1B3 Q9NPD5 2/20 0.31
P2RX3 P56373 1/20 0.31
LPAR1 Q92633 1/20 0.31
NPC1 O15118 1/20 0.30
LMNA P02545 1/20 0.30
NPSR1 Q6W5P4 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
SCHEMBL29517757 1.00 SLCO1B1 (0.40) SLCO1B1ABCB11FFAR4DPP4DPP8
SCHEMBL29672297 0.92 SLCO1B1 (0.48) SLCO1B1ABCB11FFAR4ABCC3ABCC4
SCHEMBL29672263 0.92 SLCO1B1 (0.48) SLCO1B1ABCB11FFAR4ABCC3ABCC4
SCHEMBL24439344 0.92 SLCO1B1 (0.48) SLCO1B1ABCB11FFAR4ABCC3ABCC4
SCHEMBL24439348 0.90 SLCO1B1 (0.36) SLCO1B1FFAR4NPC1LMNANPSR1
SCHEMBL24439624 0.88 SLCO1B1 (0.50) SLCO1B1ABCB11FFAR4LPAR1NPC1
SCHEMBL29517790 0.85 FFAR4 (0.37) FFAR4DPP4DPP8DPP9DPP7
SCHEMBL24439723 0.85 FFAR4 (0.37) FFAR4DPP4DPP8DPP9DPP7
SCHEMBL24439386 0.84 SLCO1B1 (0.43) SLCO1B1ABCB11ABCC3ABCC4SLCO1B3
SCHEMBL24439352 0.81 SLCO1B1 (0.40) 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 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