SCHEMBL9492876

SCHEMBL9492876

COc1ccc(COc2ccc3c(c2)CCCC3N(O)C(N)=O)cc1

nearest known ligand 0.88

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
FFAR1 O14842 2/20 0.45
TAS2R14 Q9NYV8 1/20 0.44

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
SCHEMBL9488175 0.94 PPARD (0.47) FFAR1
SCHEMBL9492388 0.90 MAOA (0.49)
SCHEMBL9488819 0.89 FFAR1 (0.51) FFAR1
SCHEMBL9489656 0.88 HTR6 (0.47)
SCHEMBL9215988 0.83 MAOB (0.46)
SCHEMBL9215265 0.83 LIPG (0.49) FFAR1
SCHEMBL9491758 0.81 MAOA (0.47)
SCHEMBL9490586 0.81 FFAR1 (0.51) FFAR1
SCHEMBL9597703 0.81 SLC6A9 (0.46)
SCHEMBL9216295 0.80 PPARD (0.49)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0522000-A1 5-LIPOXYGENASE INHIBITORS SMITHKLINE BEECHAM CORPORATION (US) 1993-01-13 EP claimed
WO-1991014674-A2 5-LIPOXYGENASE INHIBITORS SMITHKLINE BEECHAM CORPORATION (US) 1991-10-03 WO claimed