SCHEMBL9489472

SCHEMBL9489472

COC(=O)c1ccc(Cc2cn(C)c3ccc(CCC(=O)O)cc23)c(OC)c1

nearest known ligand 0.56

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
CPT1A P50416 2/20 0.49
CPT1B Q92523 2/20 0.49
PLA2G4A P47712 2/20 0.48
CPT2 P23786 1/20 0.46
EPHX2 P34913 2/20 0.45
PPARG P37231 2/20 0.45
CYSLTR1 Q9Y271 2/20 0.45
CYSLTR2 Q9NS75 1/20 0.45

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
SCHEMBL10469188 0.95 CPT1A (0.49) CPT1ACPT1BCPT2EPHX2PPARG
SCHEMBL9374065 0.89 CYSLTR2 (0.55) PLA2G4ACYSLTR1CYSLTR2
SCHEMBL8532687 0.88 CPT2 (0.53) CPT1ACPT1BCPT2
SCHEMBL8533898 0.86 CPT2 (0.57) CPT1ACPT1BPLA2G4ACPT2
SCHEMBL8533037 0.86 CPT2 (0.57) CPT1ACPT1BPLA2G4ACPT2
SCHEMBL9373723 0.85 CPT1A (0.46) CPT1ACPT1BPLA2G4AEPHX2PPARG
SCHEMBL9373086 0.84 CYSLTR2 (0.54) PLA2G4ACYSLTR1CYSLTR2
SCHEMBL9490133 0.84 NQO2 (0.43)
SCHEMBL3674759 0.83 PLA2G4A (0.59) CPT1ACPT1BPLA2G4ACPT2
SCHEMBL8532300 0.83 CPT1A (0.52) CPT1ACPT1BCPT2

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-0337766-B1 HETERA-ALIPHATIC CARBOXAMIDES ICI AMERICAS INC. (US) 1993-03-10 EP disclosed
US-5041460-A Antiallergens, antiinflammatory agents and leukotriene antagonists ICI AMERICAS INC. (US) 1991-08-20 US disclosed
EP-0337766-A1 Hetera-aliphatic carboxamides ICI AMERICAS INC. (US) 1989-10-18 EP disclosed