SCHEMBL19224831

SCHEMBL19224831

CCCc1ccc(-c2ccc(-c3ccc(C4CCC(CCC)CC4)cc3)c(F)c2)c(F)c1F

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP2C9 P11712 4/20 0.40
CYP3A4 P08684 4/20 0.39
ALDH1A1 P00352 1/20 0.39
LMNA P02545 1/20 0.39
MAPT P10636 1/20 0.39
MEN1 O00255 1/20 0.39
MAPK1 P28482 1/20 0.39
KMT2A Q03164 1/20 0.39
APP P05067 2/20 0.36
CYP2D6 P10635 1/20 0.35
CYP2C19 P33261 1/20 0.35
ESR2 Q92731 3/20 0.34
FFAR4 Q5NUL3 2/20 0.33
DGAT1 O75907 1/20 0.33
SOAT1 P35610 1/20 0.33
FASN P49327 1/20 0.32
CTSL P07711 1/20 0.32
CTSS P25774 1/20 0.32
CTSK P43235 1/20 0.32
ALOX5AP P20292 3/20 0.31

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
SCHEMBL8932816 0.94 CYP2C9 (0.38) CYP2C9CYP3A4ALDH1A1LMNAMAPT
SCHEMBL18779806 0.94 CYP2C9 (0.38) CYP2C9CYP3A4ALDH1A1LMNAMAPT
SCHEMBL20273239 0.93 CYP2C9 (0.45) CYP2C9CYP3A4ALDH1A1LMNAMAPT
SCHEMBL18779813 0.93 CYP2C9 (0.37) CYP2C9CYP3A4ALDH1A1LMNAMAPT
SCHEMBL22277194 0.92 CYP2C9 (0.44) CYP2C9CYP3A4ALDH1A1LMNAMAPT
SCHEMBL8958588 0.91 CYP2C9 (0.36) CYP2C9CYP3A4ALDH1A1LMNAMAPT
SCHEMBL18779812 0.91 CYP2C9 (0.40) CYP2C9CYP3A4ALDH1A1LMNAMAPT
SCHEMBL22277616 0.89 CYP2C9 (0.41) CYP2C9ALDH1A1LMNAMAPTMEN1
SCHEMBL8932765 0.88 CYP2C9 (0.37) CYP2C9CYP3A4ALDH1A1LMNAMAPT
SCHEMBL8932871 0.87 CYP3A4 (0.35) CYP2C9CYP3A4MAPTAPPCYP2D6

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20170226419-A1 POLYMERIZABLE-MONOMER-CONTAINING LIQUID CRYSTAL COMPOSITION AND LIQUID CRYSTAL DISPLAY ELEMENT USING SAME DIC CORPORATION (JP) 2017-08-10 US disclosed
US-20170226419-A1 POLYMERIZABLE-MONOMER-CONTAINING LIQUID CRYSTAL COMPOSITION AND LIQUID CRYSTAL DISPLAY ELEMENT USING SAME DIC CORPORATION (JP) 2017-08-10 US disclosed