SCHEMBL19985176

SCHEMBL19985176

CCCCCCCOc1ccc(C2CCC(C3CCC(CC)CC3)CC2)c(F)c1F

nearest known ligand 0.34

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CNR1 P21554 4/20 0.34
CNR2 P34972 4/20 0.34
SCN9A Q15858 1/20 0.33
FPR2 P25090 1/20 0.32
THRA P10827 1/20 0.32
THRB P10828 1/20 0.32
HTR1D P28221 1/20 0.32
HTR1B P28222 1/20 0.32
S1PR5 Q9H228 2/20 0.32
S1PR1 P21453 1/20 0.32
PTPN1 P18031 1/20 0.32
IKBKB O14920 2/20 0.32
MCHR1 Q99705 1/20 0.32
L3MBTL1 Q9Y468 1/20 0.31
PTPN11 Q06124 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
SCHEMBL19985183 1.00 CNR1 (0.34) CNR1CNR2SCN9AFPR2THRA
SCHEMBL9632540 1.00 CNR1 (0.34) CNR1CNR2SCN9AFPR2THRA
SCHEMBL19985198 1.00 CNR1 (0.34) CNR1CNR2SCN9AFPR2THRA
SCHEMBL9632532 1.00 CNR1 (0.34) CNR1CNR2SCN9AFPR2THRA
SCHEMBL9631157 0.99 SCN9A (0.34) CNR1CNR2SCN9AFPR2THRA
SCHEMBL9631162 0.99 SCN9A (0.34) CNR1CNR2SCN9AFPR2THRA
SCHEMBL9406427 0.96 CNR1 (0.36) CNR1CNR2SCN9AFPR2THRA
SCHEMBL9406431 0.96 CNR1 (0.36) CNR1CNR2SCN9AFPR2THRA
SCHEMBL17589056 0.95 SCN9A (0.36) SCN9AHTR1DHTR1BL3MBTL1
SCHEMBL9630338 0.95 SCN9A (0.35) CNR1CNR2SCN9AFPR2THRA

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