SCHEMBL8615470

SCHEMBL8615470

CN[C@@H](Cc1ccc(OCc2ccccc2)cc1)C(=O)NCC(C)(C)c1ccccc1

nearest known ligand 0.53

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
MMP9 P14780 1/20 0.53
MMP8 P22894 1/20 0.53
PPARG P37231 8/20 0.49
MME P08473 1/20 0.49
ACE P12821 1/20 0.49
CPA1 P15085 1/20 0.49
ACE2 Q9BYF1 1/20 0.49
LTA4H P09960 1/20 0.47
GPR34 Q9UPC5 2/20 0.46
HRAS P01112 1/20 0.46
BCL2 P10415 1/20 0.46
PPARA Q07869 2/20 0.46
MAOB P27338 1/20 0.45

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
SCHEMBL1704841 0.80 MMP9 (0.58) MMP9MMP8PPARGMMEACE
SCHEMBL2030203 0.80 PPARG (0.67) MMP9MMP8PPARGMMEACE
SCHEMBL8760872 0.80 PPARG (0.67) MMP9MMP8PPARGMMEACE
SCHEMBL2035189 0.80 PPARG (0.67) MMP9MMP8PPARGMMEACE
SCHEMBL6892246 0.79 MAOB (0.44) MMP9MMP8PPARGLTA4HHRAS
SCHEMBL684726 0.79 PPARG (0.62) MMP9MMP8PPARGMMEACE
SCHEMBL13013217 0.79 PPARG (0.62) MMP9MMP8PPARGMMEACE
SCHEMBL13227760 0.79 PPARG (0.62) MMP9MMP8PPARGMMEACE
SCHEMBL23901567 0.78 LTA4H (0.61) MMP9MMP8PPARGMMEACE
SCHEMBL3499760 0.78 LTA4H (0.65) MMP9MMP8PPARGMMEACE

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-1998046625-A1 DIPEPTIDE INHIBITORS OF PROTEIN FARNESYLTRANSFERASE WARNER-LAMBERT COMPANY (US) 1998-10-22 WO disclosed