SCHEMBL7857892

SCHEMBL7857892

CCOC(=O)CCCCc1cc(F)c(C)c(F)c1F

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP4F2 P78329 3/20 0.52
CYP4A11 Q02928 3/20 0.52
CYP1A2 P05177 2/20 0.44
GSTP1 P09211 1/20 0.43
CYP3A4 P08684 2/20 0.41
SMN1; SMN2 Q16637 2/20 0.41
CYP2D6 P10635 1/20 0.41
CYP2C9 P11712 1/20 0.41
CYP2C19 P33261 1/20 0.41
CYP4Z1 Q86W10 1/20 0.40
TNF P01375 1/20 0.39
NAMPT P43490 1/20 0.39
ALDH1A1 P00352 2/20 0.38
ALOX15 P16050 1/20 0.38
TSHR P16473 1/20 0.38
HSD17B10 Q99714 1/20 0.38
TDP1 Q9NUW8 1/20 0.38
TBXAS1 P24557 1/20 0.38
MEN1 O00255 1/20 0.37
MAPT P10636 1/20 0.37

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
SCHEMBL8585798 0.81 CYP4F2 (0.57) CYP4F2CYP4A11CYP1A2GSTP1CYP3A4
SCHEMBL28784900 0.79 CYP4F2 (0.50) CYP4F2CYP4A11CYP1A2CYP4Z1TNF
SCHEMBL17345637 0.79 CYP4F2 (0.50) CYP4F2CYP4A11CYP1A2GSTP1CYP3A4
SCHEMBL27926902 0.77 CYP4F2 (0.43) CYP4F2CYP4A11CYP1A2GSTP1CYP3A4
SCHEMBL16049283 0.77 CYP4F2 (0.48) CYP4F2CYP4A11CYP1A2SMN1; SMN2CYP4Z1
SCHEMBL13755359 0.75 CYP4F2 (0.47) CYP4F2CYP4A11CYP1A2GSTP1CYP3A4
SCHEMBL2851677 0.74 CYP4F2 (0.52) CYP4F2CYP4A11CYP1A2GSTP1CYP3A4
SCHEMBL24362415 0.74 CYP4F2 (0.52) CYP4F2CYP4A11CYP1A2GSTP1CYP3A4
SCHEMBL30548834 0.74 CYP4F2 (0.52) CYP4F2CYP4A11CYP1A2GSTP1CYP3A4
SCHEMBL3799639 0.73 CYP4F2 (0.45) CYP4F2CYP4A11CYP1A2CYP3A4SMN1; SMN2

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-0881221-B1 DIOXANE DERIVATIVES, LIQUID-CRYSTAL COMPOSITIONS CONTAINING THE SAME, AND LIQUID-CRYSTAL DISPLAY DEVICES MADE BY USING THE SAME JNC CORP (JP) 2016-06-29 EP disclosed
US-6235355-B1 OPTICAL APPARATUS WITH LIQUID CRYSTALS CHISSO CORPORATION (JP) 2001-05-22 US disclosed
EP-0881221-A1 DIOXANE DERIVATIVES, LIQUID-CRYSTAL COMPOSITIONS CONTAINING THE SAME, AND LIQUID-CRYSTAL DISPLAY DEVICES MADE BY USING THE SAME CHISSO CORPORATION (JP) 1998-12-02 EP disclosed