SCHEMBL19624381

SCHEMBL19624381

C=C(C)C(=O)OCCOc1cc(-c2ccc(C3CCC(C)CC3)cc2F)ccc1CCCO

nearest known ligand 0.39

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
FASN P49327 1/20 0.39
FFAR4 Q5NUL3 3/20 0.35
CYP3A4 P08684 3/20 0.35
CYP2C9 P11712 2/20 0.35
APP P05067 2/20 0.33
CA1 P00915 3/20 0.33
CA2 P00918 3/20 0.33
CYP2D6 P10635 1/20 0.32
CYP2C19 P33261 1/20 0.32
KDM5A P29375 1/20 0.32
KDM4C Q9H3R0 1/20 0.32
KDM5B Q9UGL1 1/20 0.32
ALOX5AP P20292 1/20 0.32
FEN1 P39748 1/20 0.32
LTB4R Q15722 1/20 0.30
LTB4R2 Q9NPC1 1/20 0.30
PIK3C3 Q8NEB9 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
SCHEMBL19804747 0.95 FFAR4 (0.36) FASNFFAR4CYP3A4CYP2C9APP
SCHEMBL19624378 0.95 FASN (0.40) FASNFFAR4CYP3A4CYP2C9APP
SCHEMBL19804056 0.92 CYP3A4 (0.43) FASNFFAR4CYP3A4CYP2C9APP
SCHEMBL19804705 0.91 CYP3A4 (0.39) FASNFFAR4CYP3A4CYP2C9APP
SCHEMBL19796610 0.89 CNR2 (0.34) FASNFFAR4CYP3A4CYP2C9APP
SCHEMBL19804739 0.88 CYP3A4 (0.44) FFAR4CYP3A4CYP2C9APPCA1
SCHEMBL19804045 0.87 CYP3A4 (0.44) FASNFFAR4CYP3A4CYP2C9APP
SCHEMBL19797004 0.87 CNR2 (0.33) FASNFFAR4CYP3A4CYP2C9
SCHEMBL21287328 0.85 FASN (0.33) FASNCA1CA2
SCHEMBL19796587 0.85 CYP3A4 (0.34) FASNFFAR4CYP3A4CYP2C9APP

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3246305-A1 COMPOUND HAVING POLYMERIZABLE GROUP, LIQUID CRYSTAL COMPOSITION AND LIQUID CRYSTAL DISPLAY ELEMENT JNC Corporation (JP) 2017-11-22 EP disclosed