SCHEMBL24439723

SCHEMBL24439723

COC(=O)[C@H]1CCC[C@H](Oc2ccc(-c3sc(Cl)cc3CO)cc2F)C1

nearest known ligand 0.37

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
FFAR4 Q5NUL3 5/20 0.37
DPP4 P27487 1/20 0.34
DPP8 Q6V1X1 1/20 0.34
DPP9 Q86TI2 1/20 0.34
DPP7 Q9UHL4 1/20 0.34
P2RX3 P56373 4/20 0.33
KMO O15229 1/20 0.32
UGCG Q16739 2/20 0.32
PDE4D Q08499 3/20 0.32
PDE4A P27815 2/20 0.32
PDE4B Q07343 2/20 0.32
PDE4C Q08493 2/20 0.32

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
SCHEMBL29517790 1.00 FFAR4 (0.37) FFAR4DPP4DPP8DPP9DPP7
SCHEMBL29672235 0.90 FFAR4 (0.37) FFAR4KMOPDE4DPDE4APDE4B
SCHEMBL29517550 0.86 FFAR4 (0.38) FFAR4DPP4DPP8DPP9DPP7
SCHEMBL24439481 0.86 FFAR4 (0.38) FFAR4DPP4DPP8DPP9DPP7
SCHEMBL29517757 0.85 SLCO1B1 (0.40) FFAR4DPP4DPP8DPP9DPP7
SCHEMBL24439720 0.85 SLCO1B1 (0.40) FFAR4DPP4DPP8DPP9DPP7
SCHEMBL24439721 0.83 CSNK2A1 (0.36) FFAR4KMOUGCGPDE4DPDE4A
SCHEMBL29672278 0.83 CSNK2A1 (0.36) FFAR4KMOUGCGPDE4DPDE4A
SCHEMBL24439733 0.81 LPAR1 (0.41) KMOPDE4DPDE4APDE4BPDE4C
SCHEMBL29625494 0.81 LPAR1 (0.41) KMOPDE4DPDE4APDE4BPDE4C

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