SCHEMBL19985222

SCHEMBL19985222

C/C=C/C1CCC(C2CCC(c3ccc(OCCCCC)c(F)c3F)CC2)CC1

nearest known ligand 0.32

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
SCN9A Q15858 1/20 0.32
FPR2 P25090 1/20 0.31
THRA P10827 1/20 0.31
THRB P10828 1/20 0.31
HTR1D P28221 1/20 0.31
HTR1B P28222 1/20 0.31

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
SCHEMBL19985239 0.99 THRA (0.32) SCN9AFPR2THRATHRBHTR1D
SCHEMBL19985240 0.99 THRA (0.32) SCN9AFPR2THRATHRBHTR1D
SCHEMBL19985216 0.99 THRA (0.32) SCN9AFPR2THRATHRBHTR1D
SCHEMBL19985232 0.99 THRA (0.32) SCN9AFPR2THRATHRBHTR1D
SCHEMBL19985214 0.97 SCN9A (0.34) SCN9AHTR1DHTR1B
SCHEMBL15681288 0.97 SCN9A (0.34) SCN9AHTR1DHTR1B
SCHEMBL19985246 0.93 HTR2C (0.33) FPR2HTR1DHTR1B
SCHEMBL21614465 0.93 SCN9A (0.36) SCN9AHTR1DHTR1B
SCHEMBL8962607 0.93 FPR2 (0.32) FPR2
SCHEMBL19985539 0.92 FPR2 (0.32) SCN9AFPR2THRATHRBHTR1D

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