SCHEMBL5204049

SCHEMBL5204049

CCCCC/C=C/CCCc1[c]cc(CCC/C=C/CCCCC)c(CCC/C=C/CCCCC)c1CCC/C=C/CCCCC

nearest known ligand 0.39

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
F7 P08709 3/20 0.35
F3 P13726 3/20 0.35
MMP2 P08253 2/20 0.35
KDM4E B2RXH2 1/20 0.35
MAPT P10636 1/20 0.35
ALOX15 P16050 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
HSD17B10 Q99714 1/20 0.35
SAE1 Q9UBE0 1/20 0.35
TRPV1 Q8NER1 2/20 0.35
FAAH O00519 2/20 0.34
MGLL Q99685 1/20 0.33

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
SCHEMBL2962366 0.87 TYR (0.36) MAPTALOX15
SCHEMBL815261 0.85 TYR (0.39) KDM4EMAPTALOX15HSD17B10
SCHEMBL815026 0.85 NPC1 (0.34)
SCHEMBL5204838 0.76 FAAH (0.41) F7F3MMP2MAPTALOX15
SCHEMBL5209881 0.71 FAAH (0.37) F7F3KDM4EALOX15HSD17B10
SCHEMBL819092 0.64 FAAH (0.68) F7F3MMP2MAPTALOX15
SCHEMBL29274398 0.64 FAAH (0.68) F7F3MMP2MAPTALOX15
SCHEMBL506356 0.64 FAAH (0.68) F7F3MMP2MAPTALOX15
SCHEMBL1324284 0.64 FAAH (0.68) F7F3MMP2MAPTALOX15
SCHEMBL3679463 0.62 TRPV1 (0.73) F7F3KDM4EMAPTALOX15

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