SCHEMBL7757302

SCHEMBL7757302

CCC[Si@H]1CC[C@H]([C@H]2CC[C@H](COc3ccc(OC(F)(F)F)c(F)c3)CC2)CC1

nearest known ligand 0.38

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
SCN9A Q15858 1/20 0.37
PPARD Q03181 7/20 0.36
FFAR1 O14842 6/20 0.36
PARP10 Q53GL7 2/20 0.35
PARP15 Q460N3 1/20 0.35
MCHR1 Q99705 1/20 0.35
PDK2 Q15119 1/20 0.34
BRD4 O60885 1/20 0.33
EPHX2 P34913 2/20 0.33
PPARA Q07869 1/20 0.33
SCN8A Q9UQD0 1/20 0.33
SCN10A Q9Y5Y9 1/20 0.33
SLC7A5 Q01650 1/20 0.32
PTGES O14684 1/20 0.32
ALOX5 P09917 1/20 0.32
PPARG P37231 1/20 0.32
PSEN1 P49768 1/20 0.32

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
SCHEMBL7757306 1.00 SCN9A (0.37) SCN9APPARDFFAR1PARP10PARP15
SCHEMBL7757298 1.00 SCN9A (0.37) SCN9APPARDFFAR1PARP10PARP15
SCHEMBL9186413 0.87 SCN9A (0.41) SCN9APPARDFFAR1PARP10PARP15
SCHEMBL9186418 0.87 SCN9A (0.41) SCN9APPARDFFAR1PARP10PARP15
SCHEMBL7761049 0.86 KDM1A (0.37) PARP10PARP15PDK2
SCHEMBL9189567 0.86 SCN9A (0.41) SCN9APPARDFFAR1PARP10PARP15
SCHEMBL7761415 0.86 PARP10 (0.40) SCN9APPARDFFAR1PARP10PARP15
SCHEMBL7761412 0.86 PARP10 (0.40) SCN9APPARDFFAR1PARP10PARP15
SCHEMBL9189562 0.86 SCN9A (0.41) SCN9APPARDFFAR1PARP10PARP15
SCHEMBL7761418 0.86 PARP10 (0.40) SCN9APPARDFFAR1PARP10PARP15

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0714899-B1 Novel silacyclohexane compounds, preparation thereof, liquid crystal compositions comprising the same, and liquid crystal devices comprising the compositions SHINETSU CHEMICAL CO (JP) 2001-04-18 EP disclosed
US-5641430-A Silacyclohexane compounds, preparation thereof, liquid crystal compositions comprising the same, and liquid crystal devices comprising the compositions SHIN-ETSU CHEMICAL CO., LTD. (JP) 1997-06-24 US disclosed
EP-0714899-A1 Novel silacyclohexane compounds, preparation thereof, liquid crystal compositions comprising the same, and liquid crystal devices comprising the compositions SHIN-ETSU CHEMICAL CO., LTD. (JP) 1996-06-05 EP disclosed