SCHEMBL8967904

SCHEMBL8967904

C=CC1CCC(C2CC=C(c3ccc(-c4ccc(-c5ccc(OCCC)c(F)c5F)cc4)c(F)c3F)CC2)CC1

nearest known ligand 0.36

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
GABRA1 P14867 2/20 0.36
GABRB2 P47870 2/20 0.36

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
SCHEMBL13922473 0.96 GABRA1 (0.34) GABRA1GABRB2
SCHEMBL8968020 0.95 CNR2 (0.33) GABRA1GABRB2
SCHEMBL8967999 0.94 GABRA1 (0.33) GABRA1GABRB2
SCHEMBL8968033 0.94 GABRA1 (0.33) GABRA1GABRB2
SCHEMBL8968003 0.94 GABRA1 (0.33) GABRA1GABRB2
SCHEMBL8968119 0.94 GABRA1 (0.33) GABRA1GABRB2
SCHEMBL8968014 0.94 GABRA1 (0.33) GABRA1GABRB2
SCHEMBL8967912 0.93 CCNT1 (0.30)
SCHEMBL8966056 0.93 GABRA1 (0.35) GABRA1GABRB2
SCHEMBL8964383 0.92 GABRA1 (0.35) GABRA1GABRB2

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