SCHEMBL19985231

SCHEMBL19985231

CC/C=C\CC1CCC(C2CCC(c3ccc(OCCCCCC)c(F)c3F)CC2)CC1

nearest known ligand 0.32

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
CNR1 P21554 1/20 0.32
CNR2 P34972 1/20 0.32
S1PR5 Q9H228 2/20 0.31
S1PR1 P21453 1/20 0.31
SCN9A Q15858 1/20 0.31
MEN1 O00255 1/20 0.30
NR1I2 O75469 1/20 0.30
LMNA P02545 1/20 0.30
CHRM2 P08172 1/20 0.30
CYP3A4 P08684 1/20 0.30
ADRA2A P08913 1/20 0.30
MAPT P10636 1/20 0.30
OPRK1 P41145 1/20 0.30
HTR2B P41595 1/20 0.30
SLC6A3 Q01959 1/20 0.30
KMT2A Q03164 1/20 0.30
HDAC6 Q9UBN7 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
SCHEMBL19985254 1.00 CNR1 (0.32) CNR1CNR2S1PR5S1PR1SCN9A
SCHEMBL19985258 1.00 CNR1 (0.32) CNR1CNR2S1PR5S1PR1SCN9A
SCHEMBL19985256 1.00 CNR1 (0.32) CNR1CNR2S1PR5S1PR1SCN9A
SCHEMBL19985229 0.99 SCN9A (0.31) CNR1CNR2SCN9A
SCHEMBL19985252 0.96 SCN9A (0.33) SCN9A
SCHEMBL19985556 0.93 CNR1 (0.31) CNR1CNR2S1PR5S1PR1SCN9A
SCHEMBL19985561 0.93 CNR1 (0.31) CNR1CNR2S1PR5S1PR1SCN9A
SCHEMBL19985562 0.93 CNR1 (0.31) CNR1CNR2S1PR5S1PR1SCN9A
SCHEMBL19985563 0.93 CNR1 (0.31) CNR1CNR2S1PR5S1PR1SCN9A
SCHEMBL19985244 0.92 HTR2C (0.32) HTR2B

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