SCHEMBL24439481

SCHEMBL24439481

COC(=O)[C@H]1CCC[C@H](Oc2ccc(-c3sccc3CO)cc2F)C1

nearest known ligand 0.38

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
FFAR4 Q5NUL3 5/20 0.38
KMT2A Q03164 2/20 0.36
DPP4 P27487 1/20 0.35
DPP8 Q6V1X1 1/20 0.35
DPP9 Q86TI2 1/20 0.35
DPP7 Q9UHL4 1/20 0.35
PDE4D Q08499 9/20 0.33
PDE4A P27815 7/20 0.33
PDE4B Q07343 7/20 0.33
PDE4C Q08493 7/20 0.33
MEN1 O00255 1/20 0.33
NPC1 O15118 1/20 0.33
RAB9A P51151 1/20 0.33
SLC6A2 P23975 1/20 0.32
SLC6A4 P31645 1/20 0.32
SLC6A3 Q01959 1/20 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
SCHEMBL29517550 1.00 FFAR4 (0.38) FFAR4KMT2ADPP4DPP8DPP9
SCHEMBL29672232 0.89 FFAR4 (0.39) FFAR4PDE4DPDE4APDE4BPDE4C
SCHEMBL24439601 0.87 FFAR4 (0.38) FFAR4KMT2APDE4DPDE4APDE4B
SCHEMBL29517790 0.86 FFAR4 (0.37) FFAR4DPP4DPP8DPP9DPP7
SCHEMBL24439723 0.86 FFAR4 (0.37) FFAR4DPP4DPP8DPP9DPP7
SCHEMBL24439487 0.81 FFAR4 (0.37) FFAR4PDE4DPDE4APDE4BPDE4C
SCHEMBL29517762 0.79 LPAR1 (0.43) KMT2APDE4DPDE4APDE4BPDE4C
SCHEMBL24441034 0.79 LPAR1 (0.43) KMT2APDE4DPDE4APDE4BPDE4C
SCHEMBL24439651 0.76 FPR2 (0.39) FFAR4KMT2ADPP4DPP8DPP9
SCHEMBL29517435 0.76 FPR2 (0.39) FFAR4KMT2ADPP4DPP8DPP9

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