SCHEMBL2607229

SCHEMBL2607229

CCOc1ccc(-c2ccc(C)c(F)c2F)c(F)c1F

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.39
MAPK1 P28482 1/20 0.39
HSD17B10 Q99714 1/20 0.39
AAK1 Q2M2I8 1/20 0.37
L3MBTL1 Q9Y468 2/20 0.37
FGFR2 P21802 2/20 0.37
FGFR1 P11362 1/20 0.37
S1PR1 P21453 3/20 0.36
S1PR3 Q99500 2/20 0.36
CYP1A2 P05177 1/20 0.36
CYP2D6 P10635 1/20 0.36
CYP2C19 P33261 1/20 0.36
TDP1 Q9NUW8 1/20 0.36
KDM1A O60341 2/20 0.35
ALDH1A1 P00352 2/20 0.34
ESR1 P03372 1/20 0.34
MAPT P10636 2/20 0.34
NPSR1 Q6W5P4 1/20 0.34
DHFR P00374 1/20 0.34
PDE2A O00408 1/20 0.34

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
SCHEMBL14289248 0.92 L3MBTL1 (0.41) KDM4EMAPK1HSD17B10L3MBTL1FGFR2
SCHEMBL13653996 0.91 FGFR2 (0.40) KDM4EMAPK1HSD17B10L3MBTL1FGFR2
SCHEMBL16855852 0.90 L3MBTL1 (0.42) KDM4EMAPK1HSD17B10AAK1L3MBTL1
SCHEMBL15381834 0.90 FGFR2 (0.39) KDM4EMAPK1HSD17B10L3MBTL1FGFR2
SCHEMBL16852422 0.87 AAK1 (0.38) KDM4EAAK1L3MBTL1CYP1A2CYP2D6
SCHEMBL13243961 0.86 CTSS (0.48) KDM4EHSD17B10L3MBTL1FGFR2FGFR1
SCHEMBL16852418 0.86 CYP1A2 (0.39) KDM4EAAK1L3MBTL1CYP1A2CYP2D6
SCHEMBL11933105 0.85 FPR2 (0.36) AAK1FGFR2FGFR1KDM1A
SCHEMBL16852417 0.84 L3MBTL1 (0.39) AAK1L3MBTL1ALDH1A1ESR1MAPT
SCHEMBL12113646 0.83 ESR1 (0.41) AAK1L3MBTL1S1PR1S1PR3ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9951274-B2 Liquid-crystalline medium MERCK PATENT GMBH (DE) 2018-04-24 US disclosed
US-20150175884-A1 LIQUID-CRYSTALLINE MEDIUM MERCK PATENT GMBH (DE) 2015-06-25 US disclosed
US-8475679-B2 Liquid crystal composition and liquid crystal display device JNC CORPORATION (JP) 2013-07-02 US disclosed
US-8337964-B2 Liquid crystal composition and liquid crystal display device JNC CORPORATION (JP) 2012-12-25 US disclosed
US-8158219-B2 Liquid crystal composition and liquid crystal display device JNC CORPORATION (JP) 2012-04-17 US disclosed
US-20110248215-A1 LIQUID CRYSTAL COMPOSITION AND LIQUID CRYSTAL DISPLAY DEVICE CHISSO PETROCHEMICAL CORPORATION (JP) 2011-10-13 US disclosed
US-20110198537-A1 LIQUID CRYSTAL COMPOSITION AND LIQUID CRYSTAL DISPLAY DEVICE JNC CORPORATION (JP) 2011-08-18 US disclosed
US-20110140040-A1 LIQUID CRYSTAL COMPOSITION AND LIQUID CRYSTAL DISPLAY DEVICE CHISSO CORPORATION (JP) 2011-06-16 US disclosed
WO-2010095506-A1 TETRACYCLIC LIQUID-CRYSTALLINE COMPOUND HAVING TETRAHYDROPYRAN AND 2,2',3,3'-TETRAFLUOROBIPHENYL, LIQUID-CRYSTAL COMPOSITION, AND LIQUID-CRYSTAL DISPLAY ELEMENT チッソ株式会社 (JP) 2010-08-26 WO disclosed