SCHEMBL8938608

SCHEMBL8938608

C=CCCC1CC=C(c2ccc(-c3ccc(-c4ccc(OCCCCCC)c(F)c4F)cc3)cc2F)CC1

nearest known ligand 0.33

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
GABRA1 P14867 1/20 0.33
GABRB2 P47870 1/20 0.33
CNR2 P34972 2/20 0.32
PTPN11 Q06124 1/20 0.31
CNR1 P21554 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
SCHEMBL8938476 0.99 GABRA1 (0.33) GABRA1GABRB2CNR2CNR1
SCHEMBL8938471 0.97 CNR2 (0.33) GABRA1GABRB2CNR2CNR1
SCHEMBL8937124 0.94 GABRA1 (0.33) GABRA1GABRB2CNR2CNR1
SCHEMBL8937123 0.94 GABRA1 (0.33) GABRA1GABRB2CNR2CNR1
SCHEMBL8937115 0.94 GABRA1 (0.33) GABRA1GABRB2CNR2CNR1
SCHEMBL8937119 0.94 GABRA1 (0.33) GABRA1GABRB2CNR2CNR1
SCHEMBL8938358 0.94 GABRA1 (0.35) GABRA1GABRB2
SCHEMBL8937110 0.93 GABRA1 (0.33) GABRA1GABRB2CNR2CNR1
SCHEMBL8939387 0.93 GABRA1 (0.33) GABRA1GABRB2CNR2CNR1
SCHEMBL8939382 0.93 GABRA1 (0.33) GABRA1GABRB2CNR2CNR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8187494-B2 Four- or five-ring liquid crystal compound having lateral fluorine, liquid crystal composition, and liquid crystal display device JNC CORPORATION (JP) 2012-05-29 US disclosed