SCHEMBL24439730

SCHEMBL24439730

COC(=O)C1CCC[C@H](Oc2ccc(-c3sc(F)cc3CO)nc2C)C1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LPAR1 Q92633 5/20 0.41
ABCC3 O15438 2/20 0.38
ABCC4 O15439 2/20 0.38
SLCO1B3 Q9NPD5 2/20 0.38
SLCO1B1 Q9Y6L6 2/20 0.38
ABCB11 O95342 1/20 0.38
FFAR4 Q5NUL3 2/20 0.33
PI4KB Q9UBF8 2/20 0.32
DPP4 P27487 1/20 0.32
DPP8 Q6V1X1 1/20 0.32
DPP9 Q86TI2 1/20 0.32
DPP7 Q9UHL4 1/20 0.32
PDE4A P27815 2/20 0.31
PDE4B Q07343 2/20 0.31
PDE4C Q08493 2/20 0.31
PDE4D Q08499 2/20 0.31
TMPRSS15 P98073 1/20 0.31
SLC5A7 Q9GZV3 1/20 0.31
RIPK1 Q13546 1/20 0.30
LOXL2 Q9Y4K0 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
SCHEMBL24439618 1.00 LPAR1 (0.41) LPAR1ABCC3ABCC4SLCO1B3SLCO1B1
SCHEMBL29517377 1.00 LPAR1 (0.41) LPAR1ABCC3ABCC4SLCO1B3SLCO1B1
SCHEMBL29602431 0.91 LPAR1 (0.41) LPAR1ABCC3ABCC4SLCO1B3SLCO1B1
SCHEMBL28744725 0.91 LPAR1 (0.47) LPAR1ABCC3ABCC4SLCO1B3SLCO1B1
SCHEMBL24439733 0.90 LPAR1 (0.41) LPAR1ABCC3ABCC4SLCO1B3SLCO1B1
SCHEMBL29625494 0.90 LPAR1 (0.41) LPAR1ABCC3ABCC4SLCO1B3SLCO1B1
SCHEMBL24441058 0.88 LPAR1 (0.38) LPAR1ABCC3ABCC4SLCO1B3SLCO1B1
SCHEMBL29517762 0.87 LPAR1 (0.43) LPAR1ABCC3ABCC4SLCO1B3SLCO1B1
SCHEMBL24441034 0.87 LPAR1 (0.43) LPAR1ABCC3ABCC4SLCO1B3SLCO1B1
SCHEMBL24439620 0.87 LPAR1 (0.40) LPAR1ABCC3ABCC4SLCO1B3SLCO1B1

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