SCHEMBL7769997

SCHEMBL7769997

CCCCC[Si@H]1CC[C@H](CCCC[C@H]2CC[C@H](c3ccc(F)c(F)c3)CC2)CC1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.34
KMT2A Q03164 2/20 0.34
CYP2C9 P11712 1/20 0.34
MAPT P10636 3/20 0.33
ALDH1A1 P00352 1/20 0.33
LMNA P02545 1/20 0.33
MAPK1 P28482 1/20 0.33
GAA P10253 1/20 0.33
SPHK1 Q9NYA1 3/20 0.33
CYP3A4 P08684 1/20 0.32
CYP2C8 P10632 1/20 0.32
S1PR3 Q99500 1/20 0.32
ADRA1A P35348 1/20 0.32
TP53 P04637 2/20 0.31
HCRTR2 O43614 1/20 0.31
POLB P06746 1/20 0.31
KDM1A O60341 1/20 0.31
MAOB P27338 1/20 0.31
ESR2 Q92731 1/20 0.31
S1PR1 P21453 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
SCHEMBL7769995 1.00 MEN1 (0.34) MEN1KMT2ACYP2C9MAPTALDH1A1
SCHEMBL7770000 1.00 MEN1 (0.34) MEN1KMT2ACYP2C9MAPTALDH1A1
SCHEMBL7758770 0.96 CYP2C9 (0.35) MEN1KMT2ACYP2C9MAPTALDH1A1
SCHEMBL8415888 0.96 CYP2C9 (0.35) MEN1KMT2ACYP2C9MAPTALDH1A1
SCHEMBL7757728 0.96 CYP2C9 (0.35) MEN1KMT2ACYP2C9MAPTALDH1A1
SCHEMBL7757723 0.96 CYP2C9 (0.35) MEN1KMT2ACYP2C9MAPTALDH1A1
SCHEMBL8415922 0.95 CYP2C9 (0.34) MEN1KMT2ACYP2C9MAPTALDH1A1
SCHEMBL8415919 0.95 CYP2C9 (0.34) MEN1KMT2ACYP2C9MAPTALDH1A1
SCHEMBL8416813 0.92 CYP2C9 (0.33) MEN1KMT2ACYP2C9MAPTALDH1A1
SCHEMBL8416808 0.92 CYP2C9 (0.33) MEN1KMT2ACYP2C9MAPTALDH1A1

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