SCHEMBL19985364

SCHEMBL19985364

C=CC1CCC(c2ccc(-c3ccc(OCCCCC)c(F)c3F)cc2)CC1

nearest known ligand 0.37

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
GABRA1 P14867 2/20 0.37
GABRB2 P47870 2/20 0.37
CNR2 P34972 2/20 0.37
CNR1 P21554 1/20 0.35
SPHK1 Q9NYA1 6/20 0.33
FPR2 P25090 2/20 0.32
RAB9A P51151 1/20 0.31
FFAR4 Q5NUL3 1/20 0.31
PTPN11 Q06124 1/20 0.31
CYP2C9 P11712 1/20 0.30
HRH3 Q9Y5N1 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
SCHEMBL19985367 0.99 GABRA1 (0.37) GABRA1GABRB2CNR2CNR1SPHK1
SCHEMBL19985368 0.99 GABRA1 (0.37) GABRA1GABRB2CNR2CNR1SPHK1
SCHEMBL19985365 0.99 GABRA1 (0.37) GABRA1GABRB2CNR2CNR1SPHK1
SCHEMBL19985366 0.99 GABRA1 (0.37) GABRA1GABRB2CNR2CNR1SPHK1
SCHEMBL15681292 0.97 CNR2 (0.38) GABRA1GABRB2CNR2CNR1SPHK1
SCHEMBL19985363 0.93 GABRA1 (0.41) GABRA1GABRB2CNR2FPR2FFAR4
SCHEMBL8933308 0.93 GABRA1 (0.37) GABRA1GABRB2CNR2CNR1FPR2
SCHEMBL8933310 0.92 GABRA1 (0.36) GABRA1GABRB2CNR2CNR1FPR2
SCHEMBL8933543 0.92 GABRA1 (0.36) GABRA1GABRB2CNR2CNR1FPR2
SCHEMBL8933489 0.92 GABRA1 (0.36) GABRA1GABRB2CNR2CNR1FPR2

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-20180079959-A1 LIQUID CRYSTAL ELEMENT WITH NEGATIVE DIELECTRIC ANISOTROPY DIC CORPORATION (JP) 2018-03-22 US disclosed