SCHEMBL9669798

SCHEMBL9669798

COc1cc(C(=O)O)ccc1Cc1cn(C)c2ccc(C(=O)NCCC(C)C)cc12

nearest known ligand 0.72

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
CPT2 P23786 1/20 0.54
CPT1A P50416 1/20 0.54
CPT1B Q92523 1/20 0.54

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
SCHEMBL9669640 0.93
SCHEMBL8536461 0.86 PLA2G4A (0.61) CPT2CPT1ACPT1B
SCHEMBL8532662 0.83
SCHEMBL9293941 0.83
SCHEMBL8533037 0.83 CPT2 (0.57) CPT2CPT1ACPT1B
SCHEMBL8533898 0.83 CPT2 (0.57) CPT2CPT1ACPT1B
SCHEMBL9669734 0.82 CYSLTR1 (0.58)
SCHEMBL29660323 0.79 PLA2G4A (0.71) CPT2CPT1ACPT1B
SCHEMBL6723264 0.79 PLA2G4A (0.71) CPT2CPT1ACPT1B
SCHEMBL8532687 0.79 CPT2 (0.53) CPT2CPT1ACPT1B

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
EP-0220066-B1 CARBOXAMIDE DERIVATIVES ICI AMERICAS INC. (US) 1992-03-25 EP disclosed
US-5049679-A Leukotriene antagonists ICI AMERICAS INC. (US) 1991-09-17 US disclosed
US-5049576-A Leukotriene antagonists ICI AMERICAS INC. (US) 1991-09-17 US disclosed
EP-0220066-A2 Carboxamide derivatives ICI AMERICAS INC. (US) 1987-04-29 EP disclosed