SCHEMBL7767225

SCHEMBL7767225

CCC[SiH]1CCC(CCCCC2CCC(c3ccc(C#N)cc3)CC2)CC1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GRIA1 P42261 1/20 0.40
GRIA2 P42262 1/20 0.40
GRIA3 P42263 1/20 0.40
MEN1 O00255 1/20 0.40
MAPK1 P28482 1/20 0.40
KMT2A Q03164 1/20 0.40
CYP2C9 P11712 1/20 0.39
ALDH1A1 P00352 1/20 0.37
LMNA P02545 1/20 0.37
MAPT P10636 1/20 0.37
ESR2 Q92731 2/20 0.35
HSD11B1 P28845 1/20 0.34
GRM2 Q14416 1/20 0.33
USP30 Q70CQ3 4/20 0.32
HRH3 Q9Y5N1 3/20 0.32
KCNH2 Q12809 1/20 0.32
KDM1A O60341 1/20 0.32
SPHK1 Q9NYA1 1/20 0.32
HRH2 P25021 1/20 0.31
HRH1 P35367 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
SCHEMBL8018249 0.91 GRIA2 (0.39) GRIA1GRIA2GRIA3MEN1MAPK1
SCHEMBL9008571 0.91 GRIA2 (0.39) GRIA1GRIA2GRIA3MEN1MAPK1
SCHEMBL8018251 0.91 GRIA2 (0.39) GRIA1GRIA2GRIA3MEN1MAPK1
SCHEMBL8018246 0.91 GRIA2 (0.39) GRIA1GRIA2GRIA3MEN1MAPK1
SCHEMBL8415928 0.89 GRIA1 (0.39) GRIA1GRIA2GRIA3MEN1MAPK1
SCHEMBL8415930 0.89 GRIA1 (0.39) GRIA1GRIA2GRIA3MEN1MAPK1
SCHEMBL9578194 0.85 MEN1 (0.46) GRIA1GRIA2GRIA3MEN1MAPK1
SCHEMBL261023 0.85 MEN1 (0.46) GRIA1GRIA2GRIA3MEN1MAPK1
SCHEMBL2370340 0.85 MEN1 (0.46) GRIA1GRIA2GRIA3MEN1MAPK1
SCHEMBL11619542 0.84 MEN1 (0.45) GRIA1GRIA2GRIA3MEN1MAPK1

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