SCHEMBL9488342

SCHEMBL9488342

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

nearest known ligand 0.57

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
PLA2G4A P47712 12/20 0.51
LTB4R Q15722 5/20 0.48
CPT2 P23786 1/20 0.46
CPT1A P50416 1/20 0.46
CPT1B Q92523 1/20 0.46

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
SCHEMBL9488885 0.93 PLA2G4A (0.43) PLA2G4A
SCHEMBL9488408 0.84 PLA2G4A (0.50) PLA2G4ALTB4RCPT2CPT1ACPT1B
SCHEMBL9489435 0.84
SCHEMBL9488306 0.84 PLA2G4A (0.42) PLA2G4ALTB4R
SCHEMBL9489366 0.84 CYSLTR2 (0.62)
SCHEMBL8536461 0.81 PLA2G4A (0.61) PLA2G4ALTB4RCPT2CPT1ACPT1B
SCHEMBL9373821 0.79 CYSLTR1 (0.48) PLA2G4A
SCHEMBL9373723 0.79 CPT1A (0.46) PLA2G4ALTB4RCPT1ACPT1B
SCHEMBL9371479 0.78 PLA2G4A (0.54) PLA2G4ALTB4R
SCHEMBL8533037 0.78 CPT2 (0.57) PLA2G4ALTB4RCPT2CPT1ACPT1B

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