SCHEMBL9417596

SCHEMBL9417596

CCCCCC=CCC=CCCCCCCCCOc1cccc(N(CC(=O)O)CC(=O)O)c1

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PLA2G2A P14555 1/20 0.62
▸ BLM P54132 1/20 0.62
▸ PPARA Q07869 4/20 0.55
▸ PLA2G4B P0C869 3/20 0.52
▸ CYSLTR2 Q9NS75 4/20 0.51
▸ CYSLTR1 Q9Y271 4/20 0.51
▸ SMPD1 P17405 3/20 0.46
▸ PPARG P37231 2/20 0.46
▸ ALDH1A1 P00352 2/20 0.45
▸ DUSP3 P51452 1/20 0.45
▸ PTPN7 P35236 1/20 0.45
▸ KDM4E B2RXH2 1/20 0.45
▸ FFAR1 O14842 1/20 0.45
▸ LMNA P02545 1/20 0.45
▸ FABP3 P05413 1/20 0.45
▸ CYP3A4 P08684 1/20 0.45
▸ F7 P08709 1/20 0.45
▸ CYP19A1 P11511 1/20 0.45
▸ F3 P13726 1/20 0.45
▸ FABP4 P15090 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
SCHEMBL9417386 0.98 PLA2G2A (0.65) PLA2G2ABLMPPARAPLA2G4BCYSLTR2
SCHEMBL9417584 0.98 PLA2G2A (0.65) PLA2G2ABLMPPARAPLA2G4BCYSLTR2
SCHEMBL9166846 0.92 PLA2G2A (0.58) PLA2G2ABLMPPARAPLA2G4BCYSLTR2
SCHEMBL9166840 0.92 PLA2G2A (0.58) PLA2G2ABLMPPARAPLA2G4BCYSLTR2
SCHEMBL9168861 0.91 PLA2G2A (0.75) PLA2G2ABLMPPARAPLA2G4BCYSLTR2
SCHEMBL28531850 0.91 PLA2G2A (0.75) PLA2G2ABLMPPARAPLA2G4BCYSLTR2
SCHEMBL9417612 0.89 PLA2G2A (0.48) PLA2G2ABLMPPARAPLA2G4BSMPD1
SCHEMBL9172770 0.87 PLA2G2A (0.50) PLA2G2ABLMPPARAPLA2G4BSMPD1
SCHEMBL9172779 0.87 PLA2G2A (0.50) PLA2G2ABLMPPARAPLA2G4BSMPD1
SCHEMBL14611444 0.86 PLA2G2A (0.66) PLA2G2ABLMPPARAPLA2G4BCYSLTR2

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-5324747-A Treatment of inflammatory diseases HOFFMANN-LA ROCHE INC. (US) 1994-06-28 — — US disclosed
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