SCHEMBL7682333

SCHEMBL7682333

COc1cc(C(=O)O)ccc1Cc1cn(C(c2ccccc2)c2ccccc2)c2ccc([N+](=O)[O-])cc12

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
▸ PLA2G4A P47712 19/20 1.00
▸ LTB4R Q15722 5/20 1.00

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
SCHEMBL8425099 0.89 PLA2G4A (0.80) PLA2G4ALTB4R
SCHEMBL7678580 0.86 PLA2G4A (1.00) PLA2G4ALTB4R
SCHEMBL7682643 0.86 PLA2G4A (0.74) PLA2G4ALTB4R
SCHEMBL8425057 0.85 PLA2G4A (0.74) PLA2G4ALTB4R
SCHEMBL7676157 0.85 PLA2G4A (1.00) PLA2G4ALTB4R
SCHEMBL7679825 0.85 PLA2G4A (1.00) PLA2G4ALTB4R
SCHEMBL9117646 0.85 PLA2G4A (0.73) PLA2G4ALTB4R
SCHEMBL7679479 0.84 PLA2G4A (0.72) PLA2G4ALTB4R
SCHEMBL7679561 0.84 PLA2G4A (1.00) PLA2G4ALTB4R
SCHEMBL7676175 0.84 PLA2G4A (0.72) PLA2G4ALTB4R

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
US-6500853-B1 ENZYME INHIBITORS SUCH AS 4-((1-BENZHYDRYL-5-(((BUTYLAMINO)-CARBONYL)AMINO)-1H-INDOL-3-YL)METHYL)-3 -METHOXYBENZOIC ACID USED AS ANTIINFLAMMATORY AGENTS FOR PROPHYLAXIS OF ARTHRITIS, INFLAMMATORY BOWEL DISEASE OR ASTHMA GENETICS INSTITUTE, LLC 2002-12-31 — — US claimed
EP-1062205-A2 INHIBITORS OF PHOSPHOLIPASE ENZYMES GENETICS INSTITUTE, INC. (US) 2000-12-27 — — EP claimed
WO-1999043654-A2 INHIBITORS OF PHOSPHOLIPASE ENZYMES GENETICS INSTITUTE, INC. (US) 1999-09-02 — — WO claimed
US-6500853-B1 ENZYME INHIBITORS SUCH AS 4-((1-BENZHYDRYL-5-(((BUTYLAMINO)-CARBONYL)AMINO)-1H-INDOL-3-YL)METHYL)-3 -METHOXYBENZOIC ACID USED AS ANTIINFLAMMATORY AGENTS FOR PROPHYLAXIS OF ARTHRITIS, INFLAMMATORY BOWEL DISEASE OR ASTHMA GENETICS INSTITUTE, LLC 2002-12-31 — — US disclosed
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