SCHEMBL9008571

SCHEMBL9008571

CCC[SiH]1CCC(CC[C@H]2CC[C@H](c3ccc(-c4ccc(C#N)cc4)cc3)CC2)CC1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GRIA2 P42262 2/20 0.39
GRIA1 P42261 1/20 0.39
GRIA3 P42263 1/20 0.39
MEN1 O00255 1/20 0.39
MAPK1 P28482 1/20 0.39
KMT2A Q03164 1/20 0.39
HRH3 Q9Y5N1 7/20 0.39
KCNH2 Q12809 2/20 0.39
CYP2C9 P11712 1/20 0.38
ALDH1A1 P00352 1/20 0.36
LMNA P02545 1/20 0.36
MAPT P10636 1/20 0.36
TSHR P16473 1/20 0.35
HSD17B10 Q99714 1/20 0.35
HRH2 P25021 2/20 0.35
HRH1 P35367 2/20 0.35
KIF11 P52732 1/20 0.34
ESR2 Q92731 1/20 0.34
EGLN2 Q96KS0 1/20 0.34
HSD11B1 P28845 1/20 0.33

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
SCHEMBL8018251 1.00 GRIA2 (0.39) GRIA2GRIA1GRIA3MEN1MAPK1
SCHEMBL8018249 1.00 GRIA2 (0.39) GRIA2GRIA1GRIA3MEN1MAPK1
SCHEMBL8018246 1.00 GRIA2 (0.39) GRIA2GRIA1GRIA3MEN1MAPK1
SCHEMBL7767225 0.91 GRIA1 (0.40) GRIA2GRIA1GRIA3MEN1MAPK1
SCHEMBL8415930 0.88 GRIA1 (0.39) GRIA2GRIA1GRIA3MEN1MAPK1
SCHEMBL8415928 0.88 GRIA1 (0.39) GRIA2GRIA1GRIA3MEN1MAPK1
SCHEMBL20343290 0.84 MEN1 (0.52) GRIA2GRIA1GRIA3MEN1MAPK1
SCHEMBL6462690 0.84 MEN1 (0.52) GRIA2GRIA1GRIA3MEN1MAPK1
SCHEMBL6462682 0.84 MEN1 (0.52) GRIA2GRIA1GRIA3MEN1MAPK1
SCHEMBL9008539 0.84 DRD2 (0.43) MEN1MAPK1KMT2ACYP2C9ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5582764-A Silacyclohexane compound, a method of preparing it and a liquid crystal composition containing it SHIN-ETSU CHEMICAL CO., LTD. (JP) 1996-12-10 US disclosed