SCHEMBL28306385

SCHEMBL28306385

C=CCOC(=O)Cc1ccc(NC(=O)OC(C)(C)C)cc1

nearest known ligand 0.49

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
PPARG P37231 3/20 0.49
PPARA Q07869 1/20 0.49
CYP17A1 P05093 1/20 0.49
SMN1; SMN2 Q16637 4/20 0.48
LMNA P02545 3/20 0.48
MAPT P10636 2/20 0.48
PTGDR2 Q9Y5Y4 1/20 0.44
GLS O94925 1/20 0.43
KLK7 P49862 2/20 0.43
NAMPT P43490 1/20 0.42
DRD2 P14416 1/20 0.42
MAPK14 Q16539 1/20 0.42
NPC1 O15118 1/20 0.40
TP53 P04637 1/20 0.40
RAB9A P51151 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
PSMB8 P28062 1/20 0.39

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
SCHEMBL23629625 0.86 NAMPT (0.50) CYP17A1SMN1; SMN2MAPTPTGDR2NAMPT
SCHEMBL15709727 0.84 LMNA (0.62) PPARGPPARACYP17A1SMN1; SMN2LMNA
SCHEMBL18830720 0.83 CYP17A1 (0.44) PPARGPPARACYP17A1SMN1; SMN2PTGDR2
SCHEMBL15538944 0.82 SMN1; SMN2 (0.59) PPARGPPARACYP17A1SMN1; SMN2LMNA
SCHEMBL24341135 0.81 SMN1; SMN2 (0.52) SMN1; SMN2LMNAMAPTKLK7NPC1
SCHEMBL12872176 0.80 PPARG (0.54) PPARGPPARACYP17A1SMN1; SMN2LMNA
SCHEMBL29142984 0.80 L3MBTL1 (0.59) PPARGPPARACYP17A1SMN1; SMN2MAPT
SCHEMBL17386357 0.78 CYP3A4 (0.50) SMN1; SMN2L3MBTL1
SCHEMBL977842 0.78 PTGDR2 (0.60) PPARGPPARACYP17A1SMN1; SMN2PTGDR2
SCHEMBL16807762 0.78 CYP17A1 (0.58) PPARGPPARACYP17A1SMN1; SMN2LMNA

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
CN-109879805-A A Pa replaces the preparation method of Buddhist nun 苏州富士莱医药股份有限公司 2019-06-14 CN disclosed