SCHEMBL15722948

SCHEMBL15722948

C/C=C/Oc1ccc(-c2ccc(OCCCC)cc2)c(F)c1F

nearest known ligand 0.40

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
CYP2D6 P10635 13/20 0.40
CYP3A4 P08684 7/20 0.40
CYP19A1 P11511 10/20 0.39
CYP2C19 P33261 10/20 0.39
CYP2C9 P11712 9/20 0.39
CYP1A2 P05177 8/20 0.39
FFAR1 O14842 1/20 0.38
FFAR4 Q5NUL3 1/20 0.38
NPC1 O15118 2/20 0.37
RAB9A P51151 2/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
HSD17B10 Q99714 1/20 0.37
KDM4E B2RXH2 1/20 0.37
LTA4H P09960 1/20 0.36
TDP1 Q9NUW8 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.35

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
SCHEMBL15722947 0.91 NQO1 (0.40) CYP2D6CYP2C19CYP1A2FFAR1FFAR4
SCHEMBL15722969 0.86 L3MBTL1 (0.37) CYP2D6CYP19A1CYP2C19CYP2C9CYP1A2
SCHEMBL15723211 0.84 HRH3 (0.42) CYP3A4FFAR1RAB9ASMN1; SMN2HSD17B10
SCHEMBL15722942 0.84 MPL (0.39)
SCHEMBL15722943 0.83 RARB (0.43) CYP3A4HSD17B10KDM4E
SCHEMBL15722944 0.82 RARB (0.44) CYP3A4RAB9ASMN1; SMN2HSD17B10KDM4E
SCHEMBL15722946 0.82 RARB (0.44) CYP3A4RAB9ASMN1; SMN2HSD17B10KDM4E
SCHEMBL15722945 0.82 RARB (0.44) CYP3A4RAB9ASMN1; SMN2HSD17B10KDM4E
SCHEMBL11023851 0.82 CYP2D6 (0.46) CYP2D6CYP3A4CYP19A1CYP2C19CYP2C9
SCHEMBL15682079 0.82 PTGS2 (0.36) CYP2D6CYP3A4CYP2C19CYP2C9CYP1A2

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