SCHEMBL8418262

SCHEMBL8418262

CNC(=O)NC(Cc1ccc(OCc2ccccc2)cc1)C(=O)OCc1ccccc1

nearest known ligand 0.61

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MMP9 P14780 1/20 0.61
MMP8 P22894 1/20 0.61
PPARG P37231 6/20 0.57
LTA4H P09960 2/20 0.56
LAP3 P28838 1/20 0.56
MAPT P10636 1/20 0.54
S1PR1 P21453 1/20 0.54
MME P08473 1/20 0.54
ACE P12821 1/20 0.54
CPA1 P15085 1/20 0.54
ACE2 Q9BYF1 1/20 0.54
GPR34 Q9UPC5 3/20 0.53
TACR1 P25103 1/20 0.52
PPARA Q07869 1/20 0.50
ITGB3 P05106 1/20 0.50
ITGA2B P08514 1/20 0.50
MBTPS1 Q14703 1/20 0.50

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
SCHEMBL8418254 1.00 MMP9 (0.61) MMP9MMP8PPARGLTA4HLAP3
SCHEMBL14064316 0.89 TACR1 (0.55) MMP9MMP8MAPTS1PR1ACE
SCHEMBL23901567 0.87 LTA4H (0.61) MMP9MMP8PPARGLTA4HLAP3
SCHEMBL13296314 0.85 GPR34 (0.58) MMP9MMP8PPARGLTA4HLAP3
SCHEMBL25901510 0.85 MME (0.62) MMP9MMP8PPARGLTA4HLAP3
SCHEMBL25093130 0.85 PPARG (0.60) MMP9MMP8PPARGLTA4HMME
SCHEMBL13647811 0.85 GPR34 (0.58) MMP9MMP8PPARGLTA4HLAP3
SCHEMBL13314871 0.83 PPARG (0.58) MMP9MMP8PPARGLTA4HLAP3
SCHEMBL30538862 0.83 LTA4H (0.61) MMP9MMP8PPARGLTA4HLAP3
SCHEMBL18171823 0.83 TACR1 (0.62) MAPTS1PR1ACETACR1MBTPS1

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-5922697-A Compounds, compositions and methods for inhibiting the binding of proteins containing an SH2 domain to cognate phosphorylated proteins WARNER-LAMBERT COMPANY (US) 1999-07-13 US disclosed