SCHEMBL13206731

SCHEMBL13206731

CCC/C=C/C/C=C/CCCCCCCc1cccc(OC)c1

nearest known ligand 0.61

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ PPARA Q07869 4/20 0.58
▸ EPHX2 P34913 5/20 0.58
▸ FAAH O00519 3/20 0.58
▸ PPARG P37231 1/20 0.55
▸ CNR1 P21554 1/20 0.55
▸ CHRM2 P08172 1/20 0.50
▸ CHRM1 P11229 1/20 0.50
▸ CHRM3 P20309 1/20 0.50
▸ HDAC1 Q13547 1/20 0.50
▸ HDAC6 Q9UBN7 1/20 0.50
▸ ACHE P22303 1/20 0.49

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
SCHEMBL19021153 0.92 PPARA (0.68) PPARAEPHX2FAAHPPARGCHRM2
SCHEMBL21381119 0.92 PPARA (0.68) PPARAEPHX2FAAHPPARGCHRM2
SCHEMBL21381118 0.92 PPARA (0.68) PPARAEPHX2FAAHPPARGCHRM2
SCHEMBL16984604 0.88 PPARA (0.51) PPARAEPHX2FAAHPPARGCNR1
SCHEMBL14520574 0.86 PPARA (0.59) PPARAEPHX2FAAHPPARGCNR1
SCHEMBL5320004 0.85 CNR1 (0.54) PPARAEPHX2FAAHCNR1
SCHEMBL5320009 0.85 CNR1 (0.54) PPARAEPHX2FAAHCNR1
SCHEMBL13639167 0.84 HDAC1 (0.57) PPARAEPHX2FAAHPPARGCNR1
SCHEMBL14167525 0.84 HDAC1 (0.57) PPARAEPHX2FAAHPPARGCNR1
SCHEMBL17424577 0.83 PPARA (0.62) PPARAEPHX2FAAHPPARGCNR1

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 10 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8920551-B1 Phase change inks XEROX CORPORATION (US) 2014-12-30 — — US disclosed
US-8920551-B1 Phase change inks XEROX CORPORATION (US) 2014-12-30 — — US disclosed
US-7781026-B2 Ink compositions XEROX CORPORATION (US) 2010-08-24 — — US disclosed
US-7781026-B2 Ink compositions XEROX CORPORATION (US) 2010-08-24 — — US disclosed
US-7544796-B2 Colorant compounds XEROX CORPORATION (US) 2009-06-09 — — US disclosed
US-7544796-B2 Colorant compounds XEROX CORPORATION (US) 2009-06-09 — — US disclosed
US-20080146795-A1 Colorant compounds XEROX CORPORATION 2008-06-19 — — US disclosed
US-20080146795-A1 Colorant compounds XEROX CORPORATION 2008-06-19 — — US disclosed
US-20080145558-A1 Ink compositions XEROX CORPORATION 2008-06-19 — — US disclosed
US-20080145558-A1 Ink compositions XEROX CORPORATION 2008-06-19 — — US disclosed
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