SCHEMBL9169893

SCHEMBL9169893

CCCCCCCCCCCCCCCCCCOc1cc(OCCCCC(=O)O)cc(N(CC(=O)O)CC(=O)O)c1

nearest known ligand 0.89

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PLA2G2A P14555 2/20 0.89
▸ BLM P54132 1/20 0.89
▸ PLA2G4B P0C869 5/20 0.51
▸ CNR1 P21554 4/20 0.48
▸ CNR2 P34972 4/20 0.48
▸ CYSLTR2 Q9NS75 3/20 0.46
▸ CYSLTR1 Q9Y271 3/20 0.46
▸ PPARG P37231 4/20 0.46
▸ PPARD Q03181 4/20 0.46
▸ PPARA Q07869 4/20 0.46
▸ FFAR1 O14842 1/20 0.46
▸ GAA P10253 1/20 0.46
▸ L3MBTL1 Q9Y468 1/20 0.46
▸ TSHR P16473 2/20 0.46
▸ GPR84 Q9NQS5 2/20 0.46
▸ HDAC11 Q96DB2 2/20 0.46
▸ TDP1 Q9NUW8 2/20 0.46
▸ ALDH1A1 P00352 1/20 0.46
▸ SLC22A6 Q4U2R8 1/20 0.46
▸ SLC22A8 Q8TCC7 1/20 0.46

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
SCHEMBL9162996 0.94 PLA2G2A (1.00) PLA2G2ABLMPLA2G4BCNR1CNR2
SCHEMBL9170017 0.94 PLA2G2A (1.00) PLA2G2ABLMPLA2G4BCNR1CNR2
SCHEMBL9171175 0.94 PLA2G2A (1.00) PLA2G2ABLMPLA2G4BCNR1CNR2
SCHEMBL9168811 0.94 PLA2G2A (1.00) PLA2G2ABLMPLA2G4BCNR1CNR2
SCHEMBL9173041 0.94 PLA2G2A (1.00) PLA2G2ABLMPLA2G4BCNR1CNR2
SCHEMBL9171657 0.94 PLA2G2A (1.00) PLA2G2ABLMPLA2G4BCNR1CNR2
Ammonia Solution, Strong SCHEMBL9174042 0.93 PLA2G2A (0.97) PLA2G2ABLMPLA2G4BCNR1CNR2
SCHEMBL9170511 0.90 PLA2G2A (0.81) PLA2G2ABLMPLA2G4BCNR1CNR2
SCHEMBL9166827 0.90 PLA2G2A (0.81) PLA2G2ABLMPLA2G4BCNR1CNR2
SCHEMBL9171087 0.90 PLA2G2A (0.81) PLA2G2ABLMCNR1CNR2PPARG

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0579066-A2 N-substituted anilines F. HOFFMANN-LA ROCHE AG (CH) 1994-01-19 — — EP claimed
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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