SCHEMBL9448809

SCHEMBL9448809

NC(=O)N(O)CC1=Cc2ccc(OC3CCCC3)cc2CC1

nearest known ligand 0.46

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
ALOX5 P09917 15/20 0.46
PTGS1 P23219 2/20 0.41
PTGS2 P35354 2/20 0.41
ALOX12 P18054 1/20 0.41
PARP10 Q53GL7 1/20 0.39
FFAR1 O14842 1/20 0.34

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
SCHEMBL9448945 0.82 ALOX5 (0.61) ALOX5PTGS1PTGS2ALOX12
SCHEMBL9448870 0.81 ALOX5 (0.48) ALOX5PTGS1PTGS2ALOX12
SCHEMBL9448907 0.79 ALOX5 (0.60) ALOX5PTGS1PTGS2ALOX12
SCHEMBL9448868 0.78 ALOX5 (0.46) ALOX5PTGS1PTGS2ALOX12
SCHEMBL17815599 0.73 MCHR1 (0.41)
SCHEMBL9218186 0.72 ALOX5 (0.47) ALOX5PTGS2
SCHEMBL18710317 0.71 CCR4 (0.34)
SCHEMBL9215916 0.70 HRH3 (0.38) PTGS1PTGS2PARP10
SCHEMBL9214803 0.68 ALOX5 (0.48) ALOX5
SCHEMBL8544280 0.68 FURIN (0.52) ALOX5PARP10

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