SCHEMBL15722967

SCHEMBL15722967

C/C=C/Oc1ccc(-c2ccc(OCC)c(F)c2F)c(F)c1F

nearest known ligand 0.34

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FGFR2 P21802 2/20 0.34
FGFR1 P11362 1/20 0.34
CTSS P25774 3/20 0.33
CTSK P43235 3/20 0.33
L3MBTL1 Q9Y468 2/20 0.33
CTSL P07711 2/20 0.33
TUBB1 Q9H4B7 1/20 0.33
CYP1A2 P05177 1/20 0.33
CYP2D6 P10635 1/20 0.33
CYP2C19 P33261 1/20 0.33
TDP1 Q9NUW8 1/20 0.33
AAK1 Q2M2I8 1/20 0.32
KDM1A O60341 2/20 0.32
KDM4E B2RXH2 2/20 0.32
MAPK1 P28482 1/20 0.32
HSD17B10 Q99714 1/20 0.32
ALDH1A1 P00352 1/20 0.31
GAA P10253 1/20 0.30
MAPT P10636 1/20 0.30
PDE4A P27815 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
SCHEMBL15722969 0.88 L3MBTL1 (0.37) CTSSCTSKL3MBTL1CTSLCYP1A2
SCHEMBL15722959 0.84 CTSS (0.40) CTSSCTSKCTSL
SCHEMBL16855852 0.84 L3MBTL1 (0.42) FGFR2FGFR1CTSSCTSKL3MBTL1
SCHEMBL15722947 0.83 NQO1 (0.40) L3MBTL1CYP1A2CYP2D6CYP2C19TDP1
SCHEMBL15682057 0.83 GRM8 (0.36) TUBB1CYP1A2
SCHEMBL15722960 0.81 CTSS (0.50) CTSSCTSKCTSL
SCHEMBL15722961 0.81
SCHEMBL15722962 0.79 CTSS (0.42) CTSSCTSKCTSL
SCHEMBL15684615 0.79 CTSL (0.37) CTSSCTSKCTSL
SCHEMBL15722975 0.79 ESR1 (0.31)

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-9193907-B2 Liquid crystal compound having vinyloxy, liquid crystal composition and liquid crystal display device JNC CORPORATION (JP) 2015-11-24 US disclosed
US-9193907-B2 Liquid crystal compound having vinyloxy, liquid crystal composition and liquid crystal display device JNC CORPORATION (JP) 2015-11-24 US disclosed
US-20140138582-A1 LIQUID CRYSTAL COMPOUND HAVING VINYLOXY, LIQUID CRYSTAL COMPOSITION AND LIQUID CRYSTAL DISPLAY DEVICE JNC PETROCHEMICAL CORPORATION (JP) 2014-05-22 US disclosed
US-20140138582-A1 LIQUID CRYSTAL COMPOUND HAVING VINYLOXY, LIQUID CRYSTAL COMPOSITION AND LIQUID CRYSTAL DISPLAY DEVICE JNC PETROCHEMICAL CORPORATION (JP) 2014-05-22 US disclosed