SCHEMBL15433217

SCHEMBL15433217

CCC/C(F)=C(\F)c1ccc(C2CCC(c3cc(F)c(C(F)(F)F)c(F)c3)CC2)cc1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP2C9 P11712 2/20 0.38
ALDH1A1 P00352 2/20 0.36
MAPT P10636 2/20 0.36
MEN1 O00255 2/20 0.36
KMT2A Q03164 2/20 0.36
LMNA P02545 1/20 0.36
MAPK1 P28482 1/20 0.36
HPGD P15428 2/20 0.33
GAA P10253 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
FASN P49327 1/20 0.32
SLC9A1 P19634 1/20 0.32
HSD11B1 P28845 1/20 0.31
P2RY14 Q15391 1/20 0.31
FFAR4 Q5NUL3 1/20 0.31
NPC1 O15118 2/20 0.30
RAB9A P51151 2/20 0.30
DRD2 P14416 1/20 0.30
NPSR1 Q6W5P4 1/20 0.30
NPY5R Q15761 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
SCHEMBL15433192 0.87 CYP2C9 (0.38) CYP2C9ALDH1A1MAPTMEN1KMT2A
SCHEMBL15433655 0.84 KIF11 (0.30)
SCHEMBL15433309 0.81 ALOX5 (0.46) CYP2C9FFAR4
SCHEMBL15433451 0.81 HDAC1 (0.35) CYP2C9FASNFFAR4CYP3A4
SCHEMBL15433721 0.79 CYP2C9 (0.37) CYP2C9ALDH1A1MAPTMEN1KMT2A
SCHEMBL7230477 0.79 CYP2C9 (0.59) CYP2C9ALDH1A1MAPTMEN1KMT2A
SCHEMBL15433191 0.77 CYP2C9 (0.37) CYP2C9ALDH1A1MAPTMEN1KMT2A
SCHEMBL15433792 0.77 FASN (0.33) FASN
SCHEMBL7229613 0.76 CYP2C9 (0.56) CYP2C9ALDH1A1MAPTMEN1KMT2A
SCHEMBL8433784 0.76 CYP2C9 (0.56) CYP2C9ALDH1A1MAPTMEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8956551-B2 Liquid crystal compound having fluorovinyl group, liquid crystal composition and liquid crystal display device JNC CORPORATION (JP) 2015-02-17 US disclosed
US-8956551-B2 Liquid crystal compound having fluorovinyl group, liquid crystal composition and liquid crystal display device JNC CORPORATION (JP) 2015-02-17 US disclosed
US-20140021406-A1 LIQUID CRYSTAL COMPOUND HAVING FLUOROVINYL GROUP, LIQUID CRYSTAL COMPOSITION AND LIQUID CRYSTAL DISPLAY DEVICE JNC PETROCHEMICAL CORPORATION (JP) 2014-01-23 US disclosed
US-20140021406-A1 LIQUID CRYSTAL COMPOUND HAVING FLUOROVINYL GROUP, LIQUID CRYSTAL COMPOSITION AND LIQUID CRYSTAL DISPLAY DEVICE JNC PETROCHEMICAL CORPORATION (JP) 2014-01-23 US disclosed