SCHEMBL31339482

SCHEMBL31339482

Fc1ccc(-c2cccc(Cl)c2Cl)cc1F

nearest known ligand 0.44

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
CNR2 P34972 5/20 0.42
AHR P35869 1/20 0.42
PTGS2 P35354 5/20 0.41
PTGS1 P23219 2/20 0.41
ALOX5AP P20292 1/20 0.40
FEN1 P39748 1/20 0.40
CNR1 P21554 1/20 0.39
HSD17B1 P14061 1/20 0.38
HSD17B2 P37059 1/20 0.38
DHODH Q02127 1/20 0.37
MAOB P27338 1/20 0.37
PDK2 Q15119 1/20 0.37
CREBBP Q92793 1/20 0.37

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
SCHEMBL31339478 0.89 AHR (0.47) CNR2AHRPTGS2PTGS1ALOX5AP
SCHEMBL2493688 0.81 ALOX5AP (0.44) PTGS2PTGS1ALOX5APFEN1HSD17B1
SCHEMBL27855977 0.80 CNR2 (0.37) CNR2AHRPTGS2PTGS1ALOX5AP
SCHEMBL4452887 0.78 AHR (0.69) CNR2AHRCNR1DHODH
SCHEMBL4445051 0.78 TDO2 (0.44) CNR2AHRPDK2
SCHEMBL4453342 0.77 CNR2 (0.53) CNR2AHRPTGS2PTGS1CNR1
SCHEMBL31339486 0.76 AHR (0.42) CNR2AHRCNR1PDK2
SCHEMBL4456479 0.75 AHR (0.45) CNR2AHRCNR1
SCHEMBL2493681 0.75 ALDH1A1 (0.41) PTGS2PTGS1ALOX5APFEN1MAOB
SCHEMBL30547198 0.74 CNR2 (0.50) CNR2CNR1DHODH

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-119361834-A Electrolyte and battery and electricity utilization device containing same 浙江大学 2025-01-24 CN claimed
CN-119361834-A Electrolyte and battery and electricity utilization device containing same 浙江大学 2025-01-24 CN disclosed