SCHEMBL7762053

SCHEMBL7762053

FCCCC[Si@H]1CC[C@H](COc2ccc(F)c(F)c2)CC1

nearest known ligand 0.50

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
PARP10 Q53GL7 6/20 0.41
PARP15 Q460N3 5/20 0.41
SIGMAR1 Q99720 2/20 0.38
SLC6A2 P23975 2/20 0.37
SLC6A4 P31645 2/20 0.37
HTR3A P46098 1/20 0.37
KCNH2 Q12809 1/20 0.37
SCN9A Q15858 1/20 0.36
FFAR4 Q5NUL3 1/20 0.36
KDM1A O60341 1/20 0.35
SLC6A3 Q01959 1/20 0.35

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
SCHEMBL7762049 1.00 PARP10 (0.41) PARP10PARP15SIGMAR1SLC6A2SLC6A4
SCHEMBL7757389 0.93 PARP10 (0.39) PARP10PARP15SIGMAR1SLC6A2SLC6A4
SCHEMBL7757393 0.93 PARP10 (0.39) PARP10PARP15SIGMAR1SLC6A2SLC6A4
SCHEMBL7757383 0.93 PARP10 (0.39) PARP10PARP15SIGMAR1SLC6A2SLC6A4
SCHEMBL7760350 0.89 PARP10 (0.41) PARP10PARP15SLC6A2SLC6A4HTR3A
SCHEMBL7760352 0.89 PARP10 (0.41) PARP10PARP15SLC6A2SLC6A4HTR3A
SCHEMBL7761368 0.88 PARP10 (0.40) PARP10PARP15SLC6A2SLC6A4HTR3A
SCHEMBL7761363 0.88 PARP10 (0.40) PARP10PARP15SLC6A2SLC6A4HTR3A
SCHEMBL7757294 0.82 PARP10 (0.38) PARP10PARP15SLC6A2SLC6A4HTR3A
SCHEMBL7757286 0.82 PARP10 (0.38) PARP10PARP15SLC6A2SLC6A4HTR3A

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