SCHEMBL9169470

SCHEMBL9169470

CCCCCCCCCCCCCCOc1cc(OCCC(CC)Oc2ccccc2)cc(N(CC(=O)O)CC(=O)O)c1

nearest known ligand 0.69

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ PLA2G2A P14555 2/20 0.69
▸ BLM P54132 1/20 0.69
▸ PTGES O14684 2/20 0.44
▸ ALOX5 P09917 2/20 0.44
▸ PPARG P37231 2/20 0.44
▸ PLA2G4B P0C869 2/20 0.44
▸ CYSLTR2 Q9NS75 3/20 0.43
▸ CYSLTR1 Q9Y271 3/20 0.43
▸ CNR1 P21554 1/20 0.40
▸ CNR2 P34972 1/20 0.40
▸ FAAH O00519 6/20 0.39
▸ PTPN11 Q06124 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
SCHEMBL9164913 1.00 PLA2G2A (0.69) PLA2G2ABLMPTGESALOX5PPARG
SCHEMBL9172394 1.00 PLA2G2A (0.69) PLA2G2ABLMPTGESALOX5PPARG
SCHEMBL9172212 0.87 PLA2G2A (0.50) PLA2G2ABLMPTGESALOX5PPARG
SCHEMBL9166210 0.85 PLA2G2A (0.85) PLA2G2ABLMPLA2G4BCYSLTR2CYSLTR1
SCHEMBL9173041 0.83 PLA2G2A (1.00) PLA2G2ABLMPLA2G4BCYSLTR2CYSLTR1
SCHEMBL9171657 0.83 PLA2G2A (1.00) PLA2G2ABLMPLA2G4BCYSLTR2CYSLTR1
SCHEMBL9171175 0.83 PLA2G2A (1.00) PLA2G2ABLMPLA2G4BCYSLTR2CYSLTR1
SCHEMBL9168811 0.83 PLA2G2A (1.00) PLA2G2ABLMPLA2G4BCYSLTR2CYSLTR1
SCHEMBL9162996 0.83 PLA2G2A (1.00) PLA2G2ABLMPLA2G4BCYSLTR2CYSLTR1
SCHEMBL9170017 0.83 PLA2G2A (1.00) PLA2G2ABLMPLA2G4BCYSLTR2CYSLTR1

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5446189-A Diester intermediates for diacid enzyme inhibitor HOFFMANN-LA ROCHE INC. (US) 1995-08-29 — — US disclosed
US-5324747-A Treatment of inflammatory diseases HOFFMANN-LA ROCHE INC. (US) 1994-06-28 — — US disclosed
EP-0579066-A2 N-substituted anilines F. HOFFMANN-LA ROCHE AG (CH) 1994-01-19 — — EP disclosed
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