SCHEMBL19624562

SCHEMBL19624562

C=CC(=O)OCCCc1cc(-c2ccc(-c3ccc(C4CCC(C)CC4)cc3)cc2F)ccc1CCO

nearest known ligand 0.36

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
FASN P49327 1/20 0.36
FFAR4 Q5NUL3 2/20 0.36
CYP3A4 P08684 3/20 0.35
CYP2C9 P11712 2/20 0.35
APP P05067 2/20 0.35
CYP2D6 P10635 1/20 0.34
CYP2C19 P33261 1/20 0.34
CNR1 P21554 1/20 0.32
CNR2 P34972 1/20 0.32

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
SCHEMBL19624615 0.95 FASN (0.40) FASNFFAR4CYP3A4CYP2C9APP
SCHEMBL19804654 0.91 CYP3A4 (0.42) FFAR4CYP3A4CYP2C9APPCYP2D6
SCHEMBL19797034 0.89 CYP2C9 (0.34) FFAR4CYP3A4CYP2C9APPCYP2D6
SCHEMBL19804423 0.86 CYP3A4 (0.41) FASNFFAR4CYP3A4CYP2C9APP
SCHEMBL19796729 0.84 CYP2C9 (0.33) FASNFFAR4CYP3A4CYP2C9APP
SCHEMBL19804740 0.81 CYP3A4 (0.41) FFAR4CYP3A4CYP2C9APPCYP2D6
SCHEMBL19804778 0.81 FFAR4 (0.34) FFAR4CYP3A4
SCHEMBL19804461 0.81 THRB (0.39) FFAR4CYP3A4CYP2C9CYP2C19
SCHEMBL19801613 0.80 CYP3A4 (0.41) FASNFFAR4CYP3A4CYP2C9APP
SCHEMBL19797044 0.80 PPARD (0.37) FFAR4CYP3A4CYP2C9APPCYP2D6

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