SCHEMBL904252

SCHEMBL904252

COC(=O)c1cc(C(F)(F)F)ccc1-c1cc(SC)ccc1OC

nearest known ligand 0.47

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CFTR P13569 1/20 0.47
CETP P11597 6/20 0.44
PTGDR2 Q9Y5Y4 5/20 0.43
TBXA2R P21731 2/20 0.43
PTGDR Q13258 2/20 0.43
ESRRA P11474 1/20 0.42
GAA P10253 1/20 0.41
SMN1; SMN2 Q16637 2/20 0.41
KDM4E B2RXH2 1/20 0.41
NPC1 O15118 1/20 0.41
MAPT P10636 1/20 0.41
HTT P42858 1/20 0.41
RAB9A P51151 1/20 0.41
CES2 O00748 1/20 0.40
MRGPRX4 Q96LA9 1/20 0.40

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
SCHEMBL29786763 0.82 CFTR (0.48) CFTRCETPPTGDR2TBXA2RPTGDR
SCHEMBL10110458 0.81 CETP (0.58) CFTRCETP
SCHEMBL904261 0.79 CETP (0.49) CFTRCETPPTGDR2TBXA2RPTGDR
SCHEMBL4070406 0.79 CFTR (0.62) CFTRESRRASMN1; SMN2KDM4EMAPT
SCHEMBL904257 0.78 CETP (0.45) CETPPTGDR2TBXA2RPTGDR
SCHEMBL31697102 0.78 CFTR (0.51) CFTRCETPESRRASMN1; SMN2KDM4E
SCHEMBL22208882 0.78 CFTR (0.51) CFTRCETPESRRASMN1; SMN2KDM4E
SCHEMBL29786833 0.76 CFTR (0.47) CFTRCETPPTGDR2TBXA2RPTGDR
SCHEMBL904254 0.76 CETP (0.43) CETPPTGDR2TBXA2RPTGDR
SCHEMBL904259 0.74 CETP (0.60) CETP

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-2012041253-A1 COMPOUNDS FOR INCREASE OF HDL-C LEVEL AND USES THEREOF ZHEJIANG BETA PHARMA INC. (CN) 2012-04-05 WO disclosed