SCHEMBL7769896

SCHEMBL7769896

CCCCC[Si@H]1CC[C@H](CCCC[C@H]2CC[C@H](c3ccc(OCC(F)(F)F)cc3)CC2)CC1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CACNA1G O43497 1/20 0.37
CACNA1H O95180 1/20 0.37
CACNA1I Q9P0X4 1/20 0.37
RAB9A P51151 1/20 0.35
CYP2C9 P11712 3/20 0.34
DRD2 P14416 1/20 0.34
DRD3 P35462 1/20 0.34
SPHK1 Q9NYA1 2/20 0.34
HRH3 Q9Y5N1 2/20 0.34
LMNA P02545 2/20 0.33
LIPE Q05469 2/20 0.33
ALDH1A1 P00352 1/20 0.33
MAPT P10636 1/20 0.33
MEN1 O00255 1/20 0.33
MAPK1 P28482 1/20 0.33
KMT2A Q03164 1/20 0.33
CRBN Q96SW2 1/20 0.33
S1PR3 Q99500 1/20 0.32
CYP3A4 P08684 1/20 0.32
KCNH2 Q12809 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
SCHEMBL7769899 1.00 CACNA1G (0.37) CACNA1GCACNA1HCACNA1IRAB9ACYP2C9
SCHEMBL7769893 1.00 CACNA1G (0.37) CACNA1GCACNA1HCACNA1IRAB9ACYP2C9
SCHEMBL8449968 0.91 CACNA1G (0.39) CACNA1GCACNA1HCACNA1IRAB9ACYP2C9
SCHEMBL8449972 0.91 CACNA1G (0.39) CACNA1GCACNA1HCACNA1IRAB9ACYP2C9
SCHEMBL7767678 0.89 RAB9A (0.38) RAB9ACYP2C9SPHK1HRH3LMNA
SCHEMBL7767675 0.89 RAB9A (0.38) RAB9ACYP2C9SPHK1HRH3LMNA
SCHEMBL7767674 0.89 RAB9A (0.38) RAB9ACYP2C9SPHK1HRH3LMNA
SCHEMBL7765353 0.87 RAB9A (0.40) RAB9ACYP2C9HRH3LMNACRBN
SCHEMBL7765357 0.87 RAB9A (0.40) RAB9ACYP2C9HRH3LMNACRBN
SCHEMBL7765347 0.87 RAB9A (0.40) RAB9ACYP2C9HRH3LMNACRBN

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-0727428-B1 Novel silacyclohexane compounds, preparation thereof, liquid crystal compositions comprising the same, and liquid crystal devices comprising the compositions SHINETSU CHEMICAL CO (JP) 2001-06-06 EP disclosed
US-5665271-A Silacyclohexane compounds, preparation thereof, liquid crystal compositions comprising the same, and liquid crystal devices comprising the compositions SHIN-ETSU CHEMICAL CO., LTD. (JP) 1997-09-09 US disclosed
EP-0727428-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) 1996-08-21 EP disclosed