SCHEMBL9800905

SCHEMBL9800905

CCCCCCCCCCNC(=O)Nc1c(CC)cccc1CC

nearest known ligand 0.63

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
EPHX1 P07099 13/20 0.63
ALDH1A1 P00352 1/20 0.63
HTT P42858 1/20 0.63
POLB P06746 1/20 0.61
EPHX2 P34913 4/20 0.53
CACNA1C Q13936 1/20 0.52
SCN5A Q14524 1/20 0.52
NAAA Q02083 1/20 0.50

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
SCHEMBL9800922 1.00 EPHX1 (0.63) EPHX1ALDH1A1HTTPOLBEPHX2
SCHEMBL9800934 0.92 EPHX2 (0.55) EPHX1ALDH1A1HTTPOLBEPHX2
SCHEMBL9800932 0.92 EPHX2 (0.55) EPHX1ALDH1A1HTTPOLBEPHX2
SCHEMBL17672416 0.91 EPHX1 (0.57) EPHX1ALDH1A1HTTPOLBEPHX2
SCHEMBL9800949 0.89
SCHEMBL9800919 0.88 EPHX1 (0.55) EPHX1
SCHEMBL9800917 0.88 EPHX1 (0.55) EPHX1
SCHEMBL9800925 0.83 EPHX1 (0.55) EPHX1ALDH1A1HTTPOLBEPHX2
SCHEMBL9800916 0.83 MAPT (0.56) EPHX1ALDH1A1HTTPOLB
SCHEMBL28341578 0.82 EPHX2 (0.55) EPHX1ALDH1A1HTTPOLBEPHX2

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-0297610-B1 N-[(2,6-disubstituted)phenyl]-urea and carbamate inhibitors of acyl-CoA:cholesterol acyl-transferase WARNER-LAMBERT COMPANY (US) 1991-03-13 EP claimed
EP-0297610-B1 N-[(2,6-disubstituted)phenyl]-urea and carbamate inhibitors of acyl-CoA:cholesterol acyl-transferase WARNER-LAMBERT COMPANY (US) 1991-03-13 EP disclosed
EP-0297610-A1 N-[(2,6-disubstituted)phenyl]-urea and carbamate inhibitors of acyl-CoA:cholesterol acyl-transferase WARNER-LAMBERT COMPANY (US) 1989-01-04 EP disclosed