SCHEMBL19985216

SCHEMBL19985216

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

nearest known ligand 0.32

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
THRA P10827 1/20 0.32
THRB P10828 1/20 0.32
SCN9A Q15858 1/20 0.31
FPR2 P25090 1/20 0.31
S1PR5 Q9H228 2/20 0.30
S1PR1 P21453 1/20 0.30
HTR1D P28221 1/20 0.30
HTR1B P28222 1/20 0.30
IKBKB O14920 2/20 0.30
PTPN1 P18031 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
SCHEMBL19985232 1.00 THRA (0.32) THRATHRBSCN9AFPR2S1PR5
SCHEMBL19985239 1.00 THRA (0.32) THRATHRBSCN9AFPR2S1PR5
SCHEMBL19985240 1.00 THRA (0.32) THRATHRBSCN9AFPR2S1PR5
SCHEMBL19985222 0.99 SCN9A (0.32) THRATHRBSCN9AFPR2HTR1D
SCHEMBL19985214 0.95 SCN9A (0.34) SCN9AHTR1DHTR1B
SCHEMBL15681288 0.95 SCN9A (0.34) SCN9AHTR1DHTR1B
SCHEMBL8962794 0.93 FPR2 (0.31) FPR2
SCHEMBL8962743 0.93 FPR2 (0.31) FPR2
SCHEMBL8962778 0.93 FPR2 (0.31) FPR2
SCHEMBL8962624 0.93 FPR2 (0.31) FPR2

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