SCHEMBL8961333

SCHEMBL8961333

C=CC1CCC(C2CCC(c3ccc(-c4ccc(-c5ccc(OCCCCCCCCC)c(F)c5F)cc4)cc3F)CC2)CC1

nearest known ligand 0.34

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
GABRA1 P14867 1/20 0.34
GABRB2 P47870 1/20 0.34
CNR2 P34972 2/20 0.34
PTPN11 Q06124 5/20 0.33
CNR1 P21554 1/20 0.32
PTPN1 P18031 1/20 0.32
PTPN6 P29350 1/20 0.32
FPR2 P25090 1/20 0.31
SCN9A Q15858 1/20 0.30
RARA P10276 1/20 0.30
RARB P10826 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
SCHEMBL8961113 1.00 GABRA1 (0.34) GABRA1GABRB2CNR2PTPN11CNR1
SCHEMBL8961225 1.00 GABRA1 (0.34) GABRA1GABRB2CNR2PTPN11CNR1
SCHEMBL8961329 1.00 GABRA1 (0.34) GABRA1GABRB2CNR2PTPN11CNR1
SCHEMBL8961178 0.99 GABRA1 (0.35) GABRA1GABRB2CNR2PTPN11CNR1
SCHEMBL8934387 0.97 GABRA1 (0.36) GABRA1GABRB2CNR2PTPN11CNR1
SCHEMBL8934252 0.97 GABRA1 (0.36) GABRA1GABRB2CNR2PTPN11CNR1
SCHEMBL8934288 0.97 GABRA1 (0.36) GABRA1GABRB2CNR2PTPN11CNR1
SCHEMBL8934330 0.97 GABRA1 (0.36) GABRA1GABRB2CNR2PTPN11CNR1
SCHEMBL8961175 0.96 CNR2 (0.35) GABRA1GABRB2CNR2CNR1SCN9A
SCHEMBL8934314 0.96 GABRA1 (0.36) GABRA1GABRB2CNR2PTPN11CNR1

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