SCHEMBL7860050

SCHEMBL7860050

CCOC(=O)CCc1ccc(F)c(F)c1F

nearest known ligand 0.59

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CYP4F2 P78329 3/20 0.54
CYP4A11 Q02928 3/20 0.54
ALDH1A1 P00352 2/20 0.45
GAA P10253 1/20 0.45
CYP1A2 P05177 2/20 0.42
CYP3A4 P08684 1/20 0.42
CYP2D6 P10635 1/20 0.42
CYP2C9 P11712 1/20 0.42
CYP2C19 P33261 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
RIPK1 Q13546 1/20 0.41
LMNA P02545 1/20 0.40
MAPT P10636 1/20 0.40
CYP4Z1 Q86W10 1/20 0.40
NLRP3 Q96P20 1/20 0.39
ALOX5 P09917 1/20 0.39
KDM4E B2RXH2 1/20 0.39
HPGD P15428 1/20 0.39
PKM P14618 1/20 0.38

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 0.89 CYP4F2 (0.57) CYP4F2CYP4A11ALDH1A1CYP1A2CYP3A4
SCHEMBL3803603 0.88 CYP4F2 (0.51) CYP4F2CYP4A11ALDH1A1GAACYP1A2
SCHEMBL16030858 0.86 CYP4F2 (0.53) CYP4F2CYP4A11ALDH1A1GAACYP1A2
SCHEMBL28784900 0.84 CYP4F2 (0.50) CYP4F2CYP4A11ALDH1A1GAACYP1A2
SCHEMBL38652331 0.83 PKM (0.44) RIPK1MAPTNLRP3PKM
SCHEMBL1477877 0.83 PKM (0.44) RIPK1MAPTNLRP3PKM
SCHEMBL16318854 0.81 CYP4F2 (0.59) CYP4F2CYP4A11ALDH1A1GAACYP1A2
SCHEMBL8361248 0.80 CYP4F2 (0.50) CYP4F2CYP4A11ALDH1A1GAACYP3A4
SCHEMBL3906109 0.79 CYP4F2 (0.53) CYP4F2CYP4A11ALDH1A1GAACYP1A2
SCHEMBL1151562 0.79 CYP4F2 (0.69) CYP4F2CYP4A11ALDH1A1GAASMN1; 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 6 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
CN-104478812-A Pyrimidone compound for treating Lp-PLA2-mediated diseases or illness GLAXO GROUP LTD 2015-04-01 CN disclosed
CN-1137116-C Dioxane derivatives, liquid-crystal compositions containing same and liquid-crystal display devices made by using same 2004-02-04 CN disclosed
US-6235355-B1 OPTICAL APPARATUS WITH LIQUID CRYSTALS CHISSO CORPORATION (JP) 2001-05-22 US disclosed
CN-1211978-A Dioxane derivatives, liquid-crystal compositions containing same and liquid-crystal display devices made by using same CHISSO CORP (JP) 1999-03-24 CN 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