SCHEMBL8046687

SCHEMBL8046687

C=CCOc1ccc(-c2ccc(-c3ccc(C=CCCCC(C)O)cc3F)cc2)cn1

nearest known ligand 0.35

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
ALOX5AP P20292 10/20 0.35
FEN1 P39748 10/20 0.35
ERN1 O75460 1/20 0.31
DGAT1 O75907 3/20 0.31
KCNA3 P22001 1/20 0.30
CYP3A4 P08684 1/20 0.30
CYP2C8 P10632 1/20 0.30
CYP2C9 P11712 1/20 0.30
CYP2C19 P33261 1/20 0.30
SCN5A Q14524 1/20 0.30
SCN9A Q15858 1/20 0.30

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
SCHEMBL8046681 1.00 ALOX5AP (0.35) ALOX5APFEN1ERN1DGAT1KCNA3
SCHEMBL8234695 0.97 ALOX5AP (0.34) ALOX5APFEN1ERN1DGAT1CYP3A4
SCHEMBL8234700 0.97 ALOX5AP (0.34) ALOX5APFEN1ERN1DGAT1CYP3A4
SCHEMBL8046586 0.90 ALOX5AP (0.35) ALOX5APFEN1KCNA3
SCHEMBL8046593 0.90 ALOX5AP (0.35) ALOX5APFEN1KCNA3
SCHEMBL8036488 0.89 NPC1 (0.32) CYP3A4CYP2C9
SCHEMBL8036481 0.89 NPC1 (0.32) CYP3A4CYP2C9
SCHEMBL8048951 0.88 NPC1 (0.37) ALOX5APFEN1KCNA3CYP2C19
SCHEMBL8048947 0.88 NPC1 (0.37) ALOX5APFEN1KCNA3CYP2C19
SCHEMBL8051213 0.87 ALOX5AP (0.35) ALOX5APFEN1

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-0643119-B1 Trans-olefin compounds, method for production thereof, liquid crystal composition containing the same as active ingredient, and liquid crystal element using said composition SUMITOMO CHEMICAL CO (JP) 2000-04-26 EP disclosed
US-5707547-A CONTAINING FLUORINATED BENZENE OR NAPHTHALENE RINGS AND/OR NITROGEN CONTAINING HETEROCYCLES SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 1998-01-13 US disclosed
EP-0643119-A1 Trans-olefin compounds, method for production thereof, liquid crystal composition containing the same as active ingredient, and liquid crystal element using said composition SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 1995-03-15 EP disclosed