SCHEMBL29660323

SCHEMBL29660323

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

nearest known ligand 0.71

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
PLA2G4A P47712 13/20 0.71
LTB4R Q15722 5/20 0.56
CPT2 P23786 1/20 0.52
CPT1A P50416 1/20 0.52
CPT1B Q92523 1/20 0.52
CYSLTR2 Q9NS75 1/20 0.49
CYSLTR1 Q9Y271 1/20 0.49

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
SCHEMBL6723264 1.00 PLA2G4A (0.71) PLA2G4ALTB4RCPT2CPT1ACPT1B
SCHEMBL8536461 0.92 PLA2G4A (0.61) PLA2G4ALTB4RCPT2CPT1ACPT1B
SCHEMBL3674759 0.90 PLA2G4A (0.59) PLA2G4ACPT2CPT1ACPT1B
SCHEMBL8951061 0.87 PLA2G4A (0.69) PLA2G4ALTB4RCYSLTR2CYSLTR1
SCHEMBL8533898 0.87 CPT2 (0.57) PLA2G4ALTB4RCPT2CPT1ACPT1B
SCHEMBL8533037 0.87 CPT2 (0.57) PLA2G4ALTB4RCPT2CPT1ACPT1B
SCHEMBL8951290 0.85 PLA2G4A (0.67) PLA2G4ALTB4RCYSLTR2CYSLTR1
SCHEMBL13767658 0.85 PLA2G4A (0.59) PLA2G4ALTB4RCPT2CPT1ACPT1B
SCHEMBL22768311 0.85 PLA2G4A (0.72) PLA2G4ALTB4R
SCHEMBL9587112 0.83 PLA2G4A (0.52) PLA2G4ACYSLTR2CYSLTR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-110183371-B Preparation process of zafirlukast intermediate 南京医科大学 2022-06-14 CN disclosed