SCHEMBL2176552

SCHEMBL2176552

CCCO[C@@H](Cc1ccc(-c2cccc(NC)c2)cc1)C(=O)OC

nearest known ligand 0.44

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
ITGB3 P05106 11/20 0.44
ITGAV P06756 11/20 0.44
PPARG P37231 2/20 0.40
PPARA Q07869 2/20 0.40
PPARD Q03181 1/20 0.40
CYP17A1 P05093 1/20 0.40
CYP11B1 P15538 1/20 0.40
CYP11B2 P19099 1/20 0.40
HDAC1 Q13547 4/20 0.39
HDAC6 Q9UBN7 4/20 0.39
MGLL Q99685 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
SCHEMBL3147868 0.90 ITGB3 (0.47) ITGB3ITGAVPPARGPPARAPPARD
SCHEMBL3147855 0.90 ITGB3 (0.47) ITGB3ITGAVPPARGPPARAPPARD
SCHEMBL2174159 0.86 MGLL (0.43) ITGB3ITGAVPPARGPPARACYP17A1
SCHEMBL2177181 0.85 MGLL (0.50) ITGB3ITGAVPPARGPPARAHDAC1
SCHEMBL12406885 0.85 MGLL (0.50) ITGB3ITGAVPPARGPPARAHDAC1
SCHEMBL12406884 0.81 CYP17A1 (0.44) ITGB3ITGAVCYP17A1CYP11B1CYP11B2
SCHEMBL1749498 0.77 CYP11B1 (0.41) PPARGPPARAPPARDCYP11B1CYP11B2
SCHEMBL7815559 0.76 ESR1 (0.55) PPARA
SCHEMBL3187411 0.76 PPARG (0.52) ITGB3ITGAVPPARGPPARAPPARD
SCHEMBL3187393 0.76 PPARG (0.52) ITGB3ITGAVPPARGPPARAPPARD

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