SCHEMBL5209694

SCHEMBL5209694

CCCCCC=CCCCc1[c]cccc1

nearest known ligand 0.41

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
SOAT2 O75908 1/20 0.39
SOAT1 P35610 1/20 0.39
EPHX2 P34913 3/20 0.38
FAAH O00519 1/20 0.38
PPARA Q07869 1/20 0.37
TRPV1 Q8NER1 2/20 0.37
MMP2 P08253 2/20 0.37
F7 P08709 2/20 0.37
F3 P13726 2/20 0.37
KDM4E B2RXH2 1/20 0.37
MAPT P10636 1/20 0.37
ALOX15 P16050 1/20 0.37
ECE1 P42892 1/20 0.37
SGMS1 Q86VZ5 1/20 0.37
SGMS2 Q8NHU3 1/20 0.37
MUS81 Q96NY9 1/20 0.37
HSD17B10 Q99714 1/20 0.37
SAE1 Q9UBE0 1/20 0.37

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
SCHEMBL5207722 0.98 SOAT2 (0.41) SOAT2SOAT1EPHX2FAAHPPARA
SCHEMBL5207287 0.98 SOAT2 (0.41) SOAT2SOAT1EPHX2FAAHPPARA
SCHEMBL8137426 0.98 SOAT2 (0.41) SOAT2SOAT1EPHX2FAAHPPARA
SCHEMBL5204841 0.98 SOAT2 (0.41) SOAT2SOAT1EPHX2FAAHPPARA
SCHEMBL5204053 0.98 SOAT2 (0.41) SOAT2SOAT1EPHX2FAAHPPARA
SCHEMBL5207611 0.98 SOAT2 (0.41) SOAT2SOAT1EPHX2FAAHPPARA
SCHEMBL16892578 0.98 SOAT2 (0.41) SOAT2SOAT1EPHX2FAAHPPARA
SCHEMBL7542286 0.95 PPARA (0.42) SOAT2SOAT1EPHX2FAAHPPARA
SCHEMBL5207134 0.95 CYP1A2 (0.35) SOAT2SOAT1EPHX2FAAHPPARA
SCHEMBL5203865 0.93 SOAT2 (0.39) SOAT2SOAT1EPHX2FAAHPPARA

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