SCHEMBL9448945

SCHEMBL9448945

COc1ccc2c(c1)CCC(CN(O)C(N)=O)=C2

nearest known ligand 0.61

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
ALOX5 P09917 14/20 0.61
PTGS2 P35354 2/20 0.45
ALOX12 P18054 1/20 0.45
PTGS1 P23219 1/20 0.45
CYP11B1 P15538 1/20 0.43
CYP11B2 P19099 1/20 0.43
MCHR1 Q99705 1/20 0.41

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
SCHEMBL9218186 0.89 ALOX5 (0.47) ALOX5PTGS2CYP11B1CYP11B2MCHR1
SCHEMBL9448870 0.88 ALOX5 (0.48) ALOX5PTGS2ALOX12PTGS1MCHR1
SCHEMBL9448907 0.86 ALOX5 (0.60) ALOX5PTGS2ALOX12PTGS1
SCHEMBL9448868 0.82 ALOX5 (0.46) ALOX5PTGS2ALOX12PTGS1
SCHEMBL9448809 0.82 ALOX5 (0.46) ALOX5PTGS2ALOX12PTGS1
SCHEMBL9729800 0.78 ALOX5 (0.83) ALOX5PTGS2ALOX12PTGS1
SCHEMBL11469458 0.78 CYP11B1 (0.48) PTGS2PTGS1CYP11B1CYP11B2MCHR1
SCHEMBL636380 0.77 MCHR1 (0.45) ALOX5PTGS2CYP11B1CYP11B2MCHR1
SCHEMBL19600975 0.77 CYP11B1 (0.52) PTGS2CYP11B1CYP11B2MCHR1
SCHEMBL11666679 0.75 S1PR1 (0.49) PTGS2CYP11B1CYP11B2MCHR1

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
US-5254731-A Enzyme inhibitors; leukotriene disorders GRUENENTHAL GMBH (DE) 1993-10-19 US disclosed