SCHEMBL5207397

SCHEMBL5207397

CCC=CCCCc1[c]cccc1

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EPHX2 P34913 4/20 0.35
FAAH O00519 1/20 0.34
CNR1 P21554 1/20 0.34
CNR2 P34972 1/20 0.34
HIF1A Q16665 2/20 0.33
EPAS1 Q99814 2/20 0.33
ALDH1A1 P00352 4/20 0.33
F7 P08709 3/20 0.33
CYP19A1 P11511 3/20 0.33
F3 P13726 3/20 0.33
PTGS1 P23219 2/20 0.33
PPARG P37231 2/20 0.33
KMT2A Q03164 2/20 0.33
PPARD Q03181 2/20 0.33
PPARA Q07869 2/20 0.33
OXER1 Q8TDS5 2/20 0.33
ADORA3 P0DMS8 1/20 0.33
RXRA P19793 1/20 0.33
MAPT P10636 2/20 0.31
KDM4E B2RXH2 1/20 0.31

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
SCHEMBL5207134 0.90 CYP1A2 (0.35) EPHX2FAAHALDH1A1PPARALMNA
SCHEMBL5202026 0.90 HIF1A (0.33) EPHX2FAAHHIF1AEPAS1PPARA
SCHEMBL615502 0.89 EPHX2 (0.31) EPHX2FAAHCNR1CNR2
SCHEMBL1072076 0.89 EPHX2 (0.31) EPHX2FAAHCNR1CNR2
SCHEMBL28731461 0.89 EPHX2 (0.31) EPHX2FAAHCNR1CNR2
SCHEMBL5209694 0.88 SOAT2 (0.39) EPHX2FAAHF7F3PPARA
SCHEMBL16892578 0.87 SOAT2 (0.41) EPHX2FAAHCNR1CNR2F7
SCHEMBL5204053 0.87 SOAT2 (0.41) EPHX2FAAHCNR1CNR2F7
SCHEMBL5204841 0.87 SOAT2 (0.41) EPHX2FAAHCNR1CNR2F7
SCHEMBL5207611 0.87 SOAT2 (0.41) EPHX2FAAHCNR1CNR2F7

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