SCHEMBL8973181

SCHEMBL8973181

O[C@@H](/C=C/c1ccccc1)C(F)(F)F

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GABBR2 O75899 1/20 0.50
GABRB1 P18505 1/20 0.50
GABRB2 P47870 1/20 0.50
GABBR1 Q9UBS5 1/20 0.50
CYP1A2 P05177 2/20 0.44
MAOB P27338 2/20 0.41
CYP3A4 P08684 1/20 0.41
NFE2L2 Q16236 2/20 0.40
ALDH1A1 P00352 2/20 0.39
LMNA P02545 2/20 0.39
MAPT P10636 2/20 0.39
HDAC3 O15379 1/20 0.39
TNKS O95271 1/20 0.39
HDAC4 P56524 1/20 0.39
HDAC1 Q13547 1/20 0.39
HCAR2 Q8TDS4 1/20 0.39
HDAC7 Q8WUI4 1/20 0.39
HDAC2 Q92769 1/20 0.39
HDAC10 Q969S8 1/20 0.39
HDAC11 Q96DB2 1/20 0.39

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
SCHEMBL6513848 1.00 GABBR2 (0.50) GABBR2GABRB1GABRB2GABBR1CYP1A2
SCHEMBL8972871 1.00 GABBR2 (0.50) GABBR2GABRB1GABRB2GABBR1CYP1A2
SCHEMBL6513856 1.00 GABBR2 (0.50) GABBR2GABRB1GABRB2GABBR1CYP1A2
SCHEMBL8973184 1.00 GABBR2 (0.50) GABBR2GABRB1GABRB2GABBR1CYP1A2
SCHEMBL8972865 1.00 GABBR2 (0.50) GABBR2GABRB1GABRB2GABBR1CYP1A2
SCHEMBL8404223 1.00 GABBR2 (0.50) GABBR2GABRB1GABRB2GABBR1CYP1A2
SCHEMBL27984377 0.83 CYP1A2 (0.47) GABBR2GABRB1GABRB2GABBR1CYP1A2
SCHEMBL10723686 0.82 GABBR2 (0.44) GABBR2GABRB1GABRB2GABBR1CYP1A2
SCHEMBL10723695 0.82 GABBR2 (0.44) GABBR2GABRB1GABRB2GABBR1CYP1A2
SCHEMBL7021780 0.79 GABRB2 (0.50) GABBR2GABRB1GABRB2GABBR1CYP1A2

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
EP-0381149-B1 Optically active compound, liquid crystal composition and liquid crystal device comprising same SHARP KK (JP) 1996-03-27 EP disclosed
US-5264152-A Ferroelectric SHARP KABUSHIKI KAISHA (JP) 1993-11-23 US disclosed
EP-0469800-A2 Ferroelectric liquid crystal composition and liquid crystal device comprising the same SHARP KABUSHIKI KAISHA (JP) 1992-02-05 EP disclosed
EP-0381149-A2 Optically active compound, liquid crystal composition and liquid crystal device comprising same SHARP KABUSHIKI KAISHA (JP) 1990-08-08 EP disclosed