SCHEMBL19985250

SCHEMBL19985250

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

nearest known ligand 0.33

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
SCN9A Q15858 1/20 0.33
PTGES O14684 1/20 0.31
ALOX5 P09917 1/20 0.31
HTR1D P28221 1/20 0.30
HTR1B P28222 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
SCHEMBL19985237 0.97 CNR1 (0.32) SCN9A
SCHEMBL19985217 0.96 CNR1 (0.33) SCN9A
SCHEMBL19985227 0.96 CNR1 (0.33) SCN9A
SCHEMBL19985251 0.96 CNR1 (0.33) SCN9A
SCHEMBL19985225 0.96 CNR1 (0.33) SCN9A
SCHEMBL19985247 0.94 HTR2C (0.32)
SCHEMBL19985545 0.92 SCN9A (0.33) SCN9APTGESALOX5
SCHEMBL19985252 0.91 SCN9A (0.33) SCN9AHTR1DHTR1B
SCHEMBL19985242 0.91 KDM1A (0.30)
SCHEMBL19985550 0.89 ALOX5AP (0.32) SCN9A

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