SCHEMBL2177181

SCHEMBL2177181

CNc1cccc(-c2ccc(C[C@H](OCc3ccccc3)C(=O)OC)cc2)c1

nearest known ligand 0.50

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
MGLL Q99685 4/20 0.50
ENPP2 Q13822 2/20 0.49
ITGB3 P05106 1/20 0.48
ITGAV P06756 1/20 0.48
PPARG P37231 7/20 0.45
PPARA Q07869 6/20 0.45
HDAC1 Q13547 4/20 0.43
HDAC6 Q9UBN7 4/20 0.43
SRR Q9GZT4 1/20 0.42
PSAT1 Q9Y617 1/20 0.42
PTPN1 P18031 1/20 0.41

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
SCHEMBL12406885 1.00 MGLL (0.50) MGLLENPP2ITGB3ITGAVPPARG
SCHEMBL3187411 0.91 PPARG (0.52) MGLLENPP2ITGB3ITGAVPPARG
SCHEMBL3187393 0.91 PPARG (0.52) MGLLENPP2ITGB3ITGAVPPARG
SCHEMBL2176552 0.85 ITGB3 (0.44) MGLLITGB3ITGAVPPARGPPARA
SCHEMBL2174159 0.83 MGLL (0.43) MGLLITGB3ITGAVPPARGPPARA
SCHEMBL28851015 0.82 PSMB5 (0.54) PPARGPPARASRR
SCHEMBL28851016 0.82 PSMB5 (0.54) PPARGPPARASRR
SCHEMBL12406884 0.80 CYP17A1 (0.44) MGLLENPP2ITGB3ITGAVHDAC1
SCHEMBL3147855 0.77 ITGB3 (0.47) ITGB3ITGAVPPARGPPARASRR
SCHEMBL3147868 0.77 ITGB3 (0.47) ITGB3ITGAVPPARGPPARASRR

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
US-7973063-B2 Methods for activating PPAR gamma-type receptors GALDERMA RESEARCH & DEVELOPMENT (FR) 2011-07-05 US disclosed