SCHEMBL19985181

SCHEMBL19985181

CCCCCOc1ccc(C2CCC(C3CCC(C)CC3)CC2)c(F)c1F

nearest known ligand 0.34

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
SCN9A Q15858 1/20 0.34
HTR1D P28221 2/20 0.33
HTR1B P28222 2/20 0.33
FPR2 P25090 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
HRH3 Q9Y5N1 2/20 0.32
ALDH1A1 P00352 1/20 0.32
LMNA P02545 1/20 0.32
HPGD P15428 1/20 0.32
THRB P10828 2/20 0.31
KDM4E B2RXH2 1/20 0.31
THRA P10827 1/20 0.31
IKBKB O14920 1/20 0.31
S1PR5 Q9H228 2/20 0.31
S1PR1 P21453 1/20 0.31
MCHR1 Q99705 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
SCHEMBL19985204 0.99 HRH3 (0.34) SCN9AHTR1DHTR1BFPR2L3MBTL1
SCHEMBL19985182 0.99 HRH3 (0.34) SCN9AHTR1DHTR1BFPR2L3MBTL1
SCHEMBL19985178 0.99 HRH3 (0.34) SCN9AHTR1DHTR1BFPR2L3MBTL1
SCHEMBL19985196 0.99 HRH3 (0.34) SCN9AHTR1DHTR1BFPR2L3MBTL1
SCHEMBL19985194 0.96 SCN9A (0.37) SCN9AHTR1DHTR1BL3MBTL1HRH3
SCHEMBL12733631 0.96 SCN9A (0.36) SCN9AHTR1DHTR1BFPR2L3MBTL1
SCHEMBL12733633 0.95 HRH3 (0.36) SCN9AHTR1DHTR1BFPR2L3MBTL1
SCHEMBL12733634 0.95 HRH3 (0.36) SCN9AHTR1DHTR1BFPR2L3MBTL1
SCHEMBL18538164 0.92 HTR2C (0.36) SCN9AHTR1DHTR1BFPR2ALDH1A1
SCHEMBL14371074 0.92 SCN9A (0.39) SCN9AHTR1DHTR1BL3MBTL1HRH3

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