Octane

Octane

SCHEMBL87802

C=C(CCCCCCCCCC)OC(=C)CCCCCCCCCC.CCCCCCCC

nearest known ligand 0.46

Full drug profile on Sugi Atlas →

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CES2 O00748 3/20 0.46
CES1 P23141 3/20 0.46
GPR84 Q9NQS5 7/20 0.44
PPARG P37231 7/20 0.44
PPARD Q03181 7/20 0.44
PPARA Q07869 7/20 0.44
HDAC11 Q96DB2 5/20 0.44
TSHR P16473 5/20 0.44
PTPN1 P18031 3/20 0.44
ALDH1A1 P00352 3/20 0.44
TLR2 O60603 2/20 0.44
TDP1 Q9NUW8 2/20 0.44
FABP4 P15090 2/20 0.44
SLC22A6 Q4U2R8 1/20 0.44
SLC22A8 Q8TCC7 1/20 0.44
MEN1 O00255 1/20 0.44
ESR1 P03372 1/20 0.44
ALOX15 P16050 1/20 0.44
PDE4A P27815 1/20 0.44
KMT2A Q03164 1/20 0.44

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
SCHEMBL4093660 1.00 CES2 (0.46) CES2CES1GPR84PPARGPPARD
SCHEMBL1856865 1.00 CES2 (0.46) CES2CES1GPR84PPARGPPARD
SCHEMBL1853053 1.00 CES2 (0.46) CES2CES1GPR84PPARGPPARD
SCHEMBL323206 1.00 CES2 (0.46) CES2CES1GPR84PPARGPPARD
SCHEMBL8991633 1.00 CES2 (0.46) CES2CES1GPR84PPARGPPARD
SCHEMBL8991757 1.00 CES2 (0.46) CES2CES1GPR84PPARGPPARD
SCHEMBL1851990 1.00 CES2 (0.46) CES2CES1GPR84PPARGPPARD
SCHEMBL1100156 1.00 CES2 (0.46) CES2CES1GPR84PPARGPPARD
SCHEMBL10375151 1.00 CES2 (0.46) CES2CES1GPR84PPARGPPARD
SCHEMBL7761617 1.00 CES2 (0.46) CES2CES1GPR84PPARGPPARD

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
EP-2169020-B1 Ink composition, ink jet recording method, method for producing planographic printing plate, and planographic printing plate FUJIFILM CORP (JP) 2012-07-11 EP disclosed
US-8128746-B2 polymerization initiator, an acrylate monomer having a double bond with a carbon atom having an sp3 hybrid orbital at an alpha position, and a colorant; strength, adhesion to paper; UV radiation curing FUJIFILM CORPORATION (JP) 2012-03-06 US disclosed
US-8124194-B2 Ink composition comprising a compound with a sulfide bond and an ink jet recording method FUJIFILM CORPORATION (JP) 2012-02-28 US disclosed
EP-2065448-B1 Ink composition and ink jet recording method FUJIFILM CORP (JP) 2012-01-04 EP disclosed
EP-2169020-A1 Ink composition, ink jet recording method, method for producing planographic printing plate, and planographic printing plate FUJIFILM Corporation (JP) 2010-03-31 EP disclosed
EP-1900784-B1 Ink composition FUJIFILM CORP (JP) 2010-03-31 EP disclosed
EP-2065448-A1 Ink composition and ink jet recording method FUJIFILM Corporation (JP) 2009-06-03 EP disclosed
US-20090136678-A1 Ink composition and ink jet recording method FUJIFILM CORPORATION (JP) 2009-05-28 US disclosed
US-20080108747-A1 Ink composition, ink jet recording method, method for producing planographic printing plate, and planographic printing plate FUJIFILM CORPORATION (JP) 2008-05-08 US disclosed
EP-1900784-A1 Ink composition FUJIFILM Corporation (JP) 2008-03-19 EP disclosed