SCHEMBL8533898

SCHEMBL8533898

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

nearest known ligand 0.67

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
CPT2 P23786 1/20 0.57
CPT1A P50416 1/20 0.57
CPT1B Q92523 1/20 0.57
PLA2G4A P47712 11/20 0.56
LTB4R Q15722 4/20 0.56

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
SCHEMBL8533037 1.00 CPT2 (0.57) CPT2CPT1ACPT1BPLA2G4ALTB4R
SCHEMBL8532687 0.95 CPT2 (0.53) CPT2CPT1ACPT1B
SCHEMBL8536461 0.94 PLA2G4A (0.61) CPT2CPT1ACPT1BPLA2G4ALTB4R
SCHEMBL8532300 0.90 CPT1A (0.52) CPT2CPT1ACPT1B
SCHEMBL3674759 0.88 PLA2G4A (0.59) CPT2CPT1ACPT1BPLA2G4A
SCHEMBL8536303 0.87 EPHX2 (0.48)
SCHEMBL6723264 0.87 PLA2G4A (0.71) CPT2CPT1ACPT1BPLA2G4ALTB4R
SCHEMBL29660323 0.87 PLA2G4A (0.71) CPT2CPT1ACPT1BPLA2G4ALTB4R
SCHEMBL9372298 0.86 CPT2 (0.46) CPT2CPT1ACPT1B
SCHEMBL9489472 0.86 CPT1A (0.49) CPT2CPT1ACPT1BPLA2G4A

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-0432984-B1 Carbamoyl derivatives ZENECA LTD (GB) 1998-03-04 EP disclosed
US-5334765-A Intermediate for leukotriene antagonists IMPERIAL CHEMICAL INDUSTRIES PLC (GB) 1994-08-02 US disclosed
US-5286740-A Leukotrine antagonists; antiinflammatory agnets, antiallergens, treating asthma IMPERIAL CHEMICAL INDUSTRIES PLC (GB) 1994-02-15 US disclosed
EP-0432984-A2 Carbamoyl derivatives ZENECA LIMITED (GB) 1991-06-19 EP disclosed