SCHEMBL7388158

SCHEMBL7388158

NCc1ccc(OCCCOc2ccc(CN)cc2)cc1

nearest known ligand 0.64

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
KEAP1 Q14145 1/20 0.64
NFE2L2 Q16236 1/20 0.64
MAOB P27338 10/20 0.55
ST14 Q9Y5Y6 1/20 0.54
LTA4H P09960 1/20 0.50

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
SCHEMBL7988040 0.95 KEAP1 (0.64) KEAP1NFE2L2MAOBST14LTA4H
SCHEMBL7986146 0.93 KEAP1 (0.62) KEAP1NFE2L2MAOBST14
SCHEMBL7983918 0.93 KEAP1 (0.62) KEAP1NFE2L2MAOBST14
SCHEMBL12990053 0.93 KEAP1 (0.62) KEAP1NFE2L2MAOBST14
SCHEMBL12408533 0.93 KEAP1 (0.62) KEAP1NFE2L2MAOBST14
SCHEMBL7973439 0.92 KEAP1 (0.67) KEAP1NFE2L2MAOBST14LTA4H
SCHEMBL14940562 0.89 KEAP1 (0.58) KEAP1NFE2L2MAOBST14
SCHEMBL1157194 0.89 KEAP1 (0.63) KEAP1NFE2L2MAOBLTA4H
SCHEMBL23905132 0.88 LTA4H (0.64) KEAP1NFE2L2MAOBST14LTA4H
SCHEMBL4687736 0.87 KEAP1 (0.56) KEAP1NFE2L2MAOBST14LTA4H

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-7973115-B2 Catalyst systems based on macrocyclic ligands TOTAL PETROCHEMICALS RESEARCH FELUY (BG) 2011-07-05 US disclosed
US-6221914-B1 ANTIINFLAMMATORY AGENTS ARRAY BIOPHARMA INC. 2001-04-24 US disclosed
WO-1999024395-A1 COMPOUNDS WHICH INHIBIT TRYPTASE ACTIVITY ARRAY BIOPHARMA, INC. (US) 1999-05-20 WO disclosed