SCHEMBL9806763

SCHEMBL9806763

COc1cc(C(=O)O)ccc1Cn1ncc2ccc(NC(=O)OC3CCCC3)cc21.[NaH]

nearest known ligand 0.98

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
CYSLTR2 Q9NS75 8/20 0.76
CYSLTR1 Q9Y271 8/20 0.76
PLA2G4A P47712 1/20 0.55
EPHX2 P34913 2/20 0.47
PPARG P37231 1/20 0.47
NR1H4 Q96RI1 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
SCHEMBL8998138 0.99 CYSLTR2 (0.77) CYSLTR2CYSLTR1PLA2G4AEPHX2PPARG
SCHEMBL8998287 0.92 CYSLTR2 (0.74) CYSLTR2CYSLTR1PLA2G4AEPHX2PPARG
SCHEMBL9806757 0.91 CYSLTR2 (0.72) CYSLTR2CYSLTR1PLA2G4AEPHX2PPARG
Ici-198615 SCHEMBL9806720 0.86 CYSLTR1 (1.00) CYSLTR2CYSLTR1PLA2G4AEPHX2PPARG
Ici-198615 SCHEMBL29465033 0.86 CYSLTR1 (1.00) CYSLTR2CYSLTR1PLA2G4AEPHX2PPARG
Ici-198615 SCHEMBL31060498 0.86 CYSLTR1 (1.00) CYSLTR2CYSLTR1PLA2G4AEPHX2PPARG
SCHEMBL8998206 0.86 CYSLTR2 (0.70) CYSLTR2CYSLTR1PLA2G4AEPHX2PPARG
SCHEMBL9479016 0.86 CYSLTR2 (0.61) CYSLTR2CYSLTR1EPHX2NR1H4
SCHEMBL8998282 0.85 CYSLTR2 (0.69) CYSLTR2CYSLTR1PLA2G4AEPHX2PPARG
SCHEMBL8998205 0.84 CYSLTR1 (0.76) CYSLTR2CYSLTR1PLA2G4AEPHX2PPARG

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-4997844-A Compounds for the treatment of allergic or inflammatory diseases or shock conditions ICI AMERICAS INC. (US) 1991-03-05 US disclosed
EP-0179619-B1 HETEROCYCLIC AMIDES ICI AMERICAS INC. (US) 1990-09-05 EP disclosed
EP-0179619-A1 Heterocyclic amides ICI AMERICAS INC. (US) 1986-04-30 EP disclosed