SCHEMBL7765189

SCHEMBL7765189

CCC[SiH]1CCC(C2CCC(CCCCc3ccc(OCCC(F)(F)F)cc3)CC2)CC1

nearest known ligand 0.39

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ITGB3 P05106 11/20 0.39
ITGA2B P08514 11/20 0.39
MEN1 O00255 1/20 0.34
USP2 O75604 1/20 0.34
ALDH1A1 P00352 1/20 0.34
LMNA P02545 1/20 0.34
CYP3A4 P08684 1/20 0.34
MAPK1 P28482 1/20 0.34
CASP1 P29466 1/20 0.34
KMT2A Q03164 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
SLCO1B3 Q9NPD5 1/20 0.34
SLCO1B1 Q9Y6L6 1/20 0.34
ITGAV P06756 1/20 0.34
CHRM2 P08172 1/20 0.34
SLC6A4 P31645 1/20 0.34
HRH3 Q9Y5N1 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
SCHEMBL7765184 1.00 ITGB3 (0.39) ITGB3ITGA2BMEN1USP2ALDH1A1
SCHEMBL7765175 1.00 ITGB3 (0.39) ITGB3ITGA2BMEN1USP2ALDH1A1
SCHEMBL7767642 0.90 ITGB3 (0.34) ITGB3ITGA2BMEN1USP2ALDH1A1
SCHEMBL7766181 0.90 KCNH2 (0.41) ITGB3ITGA2BMEN1USP2ALDH1A1
SCHEMBL7767647 0.90 ITGB3 (0.34) ITGB3ITGA2BMEN1USP2ALDH1A1
SCHEMBL7766188 0.90 KCNH2 (0.41) ITGB3ITGA2BMEN1USP2ALDH1A1
SCHEMBL7766200 0.90 KCNH2 (0.41) ITGB3ITGA2BMEN1USP2ALDH1A1
SCHEMBL7767644 0.90 ITGB3 (0.34) ITGB3ITGA2BMEN1USP2ALDH1A1
SCHEMBL7769947 0.89 ITGB3 (0.39) ITGB3ITGA2BMEN1USP2ALDH1A1
SCHEMBL7769944 0.89 ITGB3 (0.39) ITGB3ITGA2BMEN1USP2ALDH1A1

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