SCHEMBL9800918

SCHEMBL9800918

CCCCCCCCC=CCCCCCCCCNC(=O)Nc1c(C)cccc1C

nearest known ligand 0.55

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
EPHX2 P34913 10/20 0.55
EPHX1 P07099 6/20 0.55
ALDH1A1 P00352 1/20 0.55
HTT P42858 1/20 0.55

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
SCHEMBL9800913 1.00 EPHX2 (0.55) EPHX2EPHX1ALDH1A1HTT
SCHEMBL9800929 0.92 LCK (0.55) EPHX2EPHX1ALDH1A1HTT
SCHEMBL9800924 0.92 LCK (0.55) EPHX2EPHX1ALDH1A1HTT
SCHEMBL9800934 0.87 EPHX2 (0.55) EPHX2EPHX1ALDH1A1HTT
SCHEMBL9800932 0.87 EPHX2 (0.55) EPHX2EPHX1ALDH1A1HTT
SCHEMBL9800906 0.86 EPHX1 (0.57) EPHX2EPHX1ALDH1A1HTT
SCHEMBL9800907 0.86 EPHX1 (0.57) EPHX2EPHX1ALDH1A1HTT
SCHEMBL9800938 0.84 EPHX2 (0.51) EPHX2ALDH1A1HTT
SCHEMBL9800937 0.84 EPHX2 (0.51) EPHX2ALDH1A1HTT
SCHEMBL17672416 0.84 EPHX1 (0.57) EPHX2EPHX1ALDH1A1HTT

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 2 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 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