SCHEMBL24439487

SCHEMBL24439487

OCc1ccsc1-c1ccc(OC2CCCCC2)c(F)c1

nearest known ligand 0.37

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
FFAR4 Q5NUL3 5/20 0.37
APP P05067 1/20 0.35
PDE4A P27815 5/20 0.34
PDE4D Q08499 5/20 0.34
PDE4B Q07343 4/20 0.34
PDE4C Q08493 4/20 0.34
FABP4 P15090 2/20 0.33
FABP5 Q01469 2/20 0.33
CSNK2A1 P68400 2/20 0.33
KMO O15229 1/20 0.33
RECQL P46063 1/20 0.33
HRH3 Q9Y5N1 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
SCHEMBL29672232 0.84 FFAR4 (0.39) FFAR4PDE4APDE4DPDE4BPDE4C
SCHEMBL29672278 0.82 CSNK2A1 (0.36) FFAR4APPPDE4APDE4DPDE4B
SCHEMBL24439721 0.82 CSNK2A1 (0.36) FFAR4APPPDE4APDE4DPDE4B
SCHEMBL24439481 0.81 FFAR4 (0.38) FFAR4PDE4APDE4DPDE4BPDE4C
SCHEMBL29517550 0.81 FFAR4 (0.38) FFAR4PDE4APDE4DPDE4BPDE4C
SCHEMBL24439602 0.80 FFAR4 (0.37) FFAR4APPPDE4APDE4DPDE4B
SCHEMBL15903786 0.74 CSNK2A1 (0.47) PDE4APDE4DPDE4BPDE4CCSNK2A1
SCHEMBL15904183 0.73 CSNK2A1 (0.48) PDE4APDE4DPDE4BPDE4CCSNK2A1
SCHEMBL24439314 0.72 LPAR1 (0.33) PDE4APDE4DPDE4BPDE4CCSNK2A1
SCHEMBL29672126 0.72 LPAR1 (0.33) PDE4APDE4DPDE4BPDE4CCSNK2A1

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