SCHEMBL7692159

SCHEMBL7692159

O=C(Nc1ccc2c(c1)c(Cc1ccc(C(=O)NS(=O)(=O)C(F)(F)F)cc1)cn2C(c1ccccc1)c1ccccc1)OC1CCCC1

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PLA2G4A P47712 6/20 0.64
▸ CYSLTR1 Q9Y271 6/20 0.52
▸ CYSLTR2 Q9NS75 5/20 0.52
▸ EPHX2 P34913 3/20 0.52
▸ PPARG P37231 3/20 0.52
▸ MEN1 O00255 1/20 0.51
▸ PTGES O14684 1/20 0.51
▸ XPO1 O14980 1/20 0.51
▸ SLC22A2 O15244 1/20 0.51
▸ ABCC4 O15439 1/20 0.51
▸ NR1I2 O75469 1/20 0.51
▸ ABCB11 O95342 1/20 0.51
▸ EGFR P00533 1/20 0.51
▸ NR3C1 P04150 1/20 0.51
▸ PGR P06401 1/20 0.51
▸ POLB P06746 1/20 0.51
▸ ADRA2A P08913 1/20 0.51
▸ ADORA3 P0DMS8 1/20 0.51
▸ MAPT P10636 1/20 0.51
▸ RARB P10826 1/20 0.51

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
SCHEMBL7682941 0.89 PLA2G4A (0.79) PLA2G4ACYSLTR1CYSLTR2EPHX2PPARG
SCHEMBL8119691 0.87 PLA2G4A (0.83) PLA2G4ACYSLTR1CYSLTR2EPHX2PPARG
SCHEMBL7678671 0.87 PLA2G4A (0.77) PLA2G4ACYSLTR1CYSLTR2EPHX2PPARG
SCHEMBL7676063 0.80 PLA2G4A (0.53) PLA2G4A
SCHEMBL7676209 0.80 PLA2G4A (0.83) PLA2G4ACYSLTR1CYSLTR2EPHX2PPARG
SCHEMBL7682780 0.79 PLA2G4A (0.79) PLA2G4ACYSLTR1CYSLTR2EPHX2PPARG
SCHEMBL7679882 0.79 PLA2G4A (0.65) PLA2G4ACYSLTR1CYSLTR2EPHX2PPARG
SCHEMBL7678320 0.78 PLA2G4A (1.00) PLA2G4ACYSLTR1CYSLTR2EPHX2PPARG
SCHEMBL7674800 0.78 PLA2G4A (0.55) PLA2G4AMAPTTDP1
SCHEMBL7682305 0.77 PLA2G4A (1.00) PLA2G4ACYSLTR1CYSLTR2EPHX2PPARG

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
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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