SCHEMBL5208041

SCHEMBL5208041

CCCCCC/C=C/CCc1[c]cc(CC/C=C/CCCCCC)c(CC/C=C/CCCCCC)c1CC/C=C/CCCCCC

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FAAH O00519 3/20 0.37
TRPV1 Q8NER1 2/20 0.37
MGLL Q99685 1/20 0.36
F7 P08709 3/20 0.35
F3 P13726 3/20 0.35
MMP2 P08253 2/20 0.35
KDM4E B2RXH2 2/20 0.35
ALOX15 P16050 2/20 0.35
HSD17B10 Q99714 2/20 0.35
MAPT P10636 1/20 0.35
ECE1 P42892 1/20 0.35
SGMS1 Q86VZ5 1/20 0.35
SGMS2 Q8NHU3 1/20 0.35
MUS81 Q96NY9 1/20 0.35
SAE1 Q9UBE0 1/20 0.35
ALDH1A1 P00352 2/20 0.34
DUSP3 P51452 1/20 0.34
PTPN7 P35236 1/20 0.34
FFAR1 O14842 1/20 0.34
LMNA P02545 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
SCHEMBL1901935 0.77 FAAH (0.44) FAAHTRPV1F7F3MMP2
SCHEMBL22654062 0.65 FAAH (0.74) FAAHTRPV1F7F3MMP2
SCHEMBL21366450 0.65 FAAH (0.74) FAAHTRPV1F7F3MMP2
SCHEMBL22654037 0.65 FAAH (0.74) FAAHTRPV1F7F3MMP2
SCHEMBL23040321 0.65 FAAH (0.74) FAAHTRPV1F7F3MMP2
SCHEMBL23291808 0.65 FAAH (0.74) FAAHTRPV1F7F3MMP2
SCHEMBL23040322 0.65 FAAH (0.74) FAAHTRPV1F7F3MMP2
SCHEMBL24218814 0.65 FAAH (0.74) FAAHTRPV1F7F3MMP2
SCHEMBL25362976 0.65 FAAH (0.74) FAAHTRPV1F7F3MMP2
SCHEMBL21698564 0.65 FAAH (0.74) FAAHTRPV1F7F3MMP2

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-0980867-B1 KETONE DERIVATIVES AND MEDICINAL USE THEREOF TORAY INDUSTRIES (JP) 2007-08-08 EP disclosed
US-6100292-A Ketone derivatives and their medical applications TORAY INDUSTRIES, INC. (JP) 2000-08-08 US disclosed
EP-0980867-A1 KETONE DERIVATIVES AND MEDICINAL USE THEREOF TORAY INDUSTRIES, INC. (JP) 2000-02-23 EP disclosed