SCHEMBL9533943

SCHEMBL9533943

CCc1onc(-c2c(Cl)cccc2Cl)c1OC(=O)Nc1ccc(C)cc1

nearest known ligand 0.54

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
GHSR Q92847 11/20 0.54
SCN9A Q15858 3/20 0.49
SCN5A Q14524 2/20 0.49
PTGS2 P35354 5/20 0.47
TP53 P04637 1/20 0.44
MAPT P10636 1/20 0.44

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
SCHEMBL9538122 0.84 SCN9A (0.50) GHSRSCN9ASCN5A
SCHEMBL9533421 0.81 SCN9A (0.49) GHSRSCN9ASCN5APTGS2MAPT
SCHEMBL9535349 0.78 SCN5A (0.46) GHSRSCN9ASCN5A
SCHEMBL9536053 0.73 SCN9A (0.53) GHSRSCN9ASCN5ATP53MAPT
SCHEMBL9535220 0.71 GHSR (0.51) GHSRSCN9ASCN5AMAPT
SCHEMBL12584905 0.71 SCN9A (0.63) SCN9ASCN5APTGS2MAPT
SCHEMBL9535030 0.71 GHSR (0.46) GHSRSCN9ASCN5A
SCHEMBL3637758 0.70 GHSR (1.00) GHSR
SCHEMBL9537454 0.70 GHSR (0.50) GHSRPTGS2
SCHEMBL9535614 0.69 TSHR (0.53) SCN9ASCN5APTGS2MAPT

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
EP-0573883-A1 Utilization of 3 substituted aryl-5-alkyl-isoxazole-4-carboxylic acid derivatives against endoparasites new 3-substituted aryl-5-alkyl-isoxazole-4-carboxylic acid derivatives and process for their preparation BAYER AG (DE) 1993-12-15 EP disclosed