SCHEMBL3115065

SCHEMBL3115065

NC(=O)N(CCCO)CC1CCCC1

nearest known ligand 0.52

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
ALOX5 P09917 4/20 0.52
OPRM1 P35372 11/20 0.36
OPRD1 P41143 11/20 0.36
EPHX1 P07099 1/20 0.33
F2 P00734 1/20 0.32
KDM5A P29375 1/20 0.30
KDM4C Q9H3R0 1/20 0.30
PHF8 Q9UPP1 1/20 0.30
KDM2A Q9Y2K7 1/20 0.30

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
SCHEMBL3124936 0.98 ALOX5 (0.53) ALOX5OPRM1OPRD1EPHX1KDM5A
SCHEMBL7760755 0.81 ALOX5 (0.67) ALOX5EPHX1
SCHEMBL194060 0.76 NTRK2 (0.36)
SCHEMBL11094217 0.73 OPRM1 (0.41) ALOX5OPRM1OPRD1KDM5AKDM4C
SCHEMBL2843504 0.72 NTRK2 (0.34)
SCHEMBL11317847 0.72 NTRK2 (0.38)
SCHEMBL21359084 0.71 OPRM1 (0.42) ALOX5OPRM1OPRD1
SCHEMBL13711905 0.69 SIGMAR1 (0.38) ALOX5
SCHEMBL20723734 0.69 GPR84 (0.35)
SCHEMBL8600806 0.69 ALDH1A1 (0.43) ALOX5

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
WO-2010036316-A1 UREA AND CARBAMATE COMPOUNDS AND ANALOGS AS KINASE INHIBITORS FENG YANGBO (US) 2010-04-01 WO claimed