SCHEMBL7758232

SCHEMBL7758232

O=C(CN(CCOCc1ccccc1)Cc1cccc(OCc2ccccc2)c1)OCc1ccccc1

nearest known ligand 0.52

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
BCHE P06276 8/20 0.52
PTGES O14684 2/20 0.47
NR4A2 P43354 1/20 0.46
LTB4R Q15722 1/20 0.46
LTB4R2 Q9NPC1 1/20 0.46
MAOB P27338 1/20 0.44
CYP4F2 P78329 1/20 0.44
CYP4A11 Q02928 1/20 0.44
EPOR P19235 1/20 0.44
FFAR1 O14842 1/20 0.44
ALOX5 P09917 1/20 0.43
LTC4S Q16873 1/20 0.43
CA1 P00915 2/20 0.43
CA2 P00918 2/20 0.43

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
SCHEMBL22778379 0.78 CA1 (0.51) CA1CA2
SCHEMBL28420914 0.78 CA1 (0.50) CA1CA2
SCHEMBL28428910 0.77 CA1 (0.52) CA1CA2
SCHEMBL28426731 0.77 CA1 (0.52) CA1CA2
SCHEMBL17879694 0.76 CA1 (0.55) BCHECA1CA2
SCHEMBL7757382 0.75 L3MBTL1 (0.56) BCHENR4A2MAOBFFAR1ALOX5
SCHEMBL28421181 0.75 CA1 (0.50) CA1CA2
SCHEMBL10502279 0.75 PPARG (0.56) MAOBCA1CA2
SCHEMBL1137350 0.75 ALDH1A1 (0.67) BCHENR4A2LTB4RLTB4R2MAOB
SCHEMBL7571319 0.74 ALDH1A1 (0.59) CA1CA2

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-0767800-B1 HISTIDINE AND HOMOHISTIDINE DERIVATIVES AS INHIBITORS OF PROTEIN FARNESYLTRANSFERASE WARNER LAMBERT CO (US) 2001-03-28 EP disclosed
US-5571792-A Histidine and homohistidine derivatives as inhibitors of protein farnesyltransferase WARNER-LAMBERT COMPANY (US) 1996-11-05 US disclosed