SCHEMBL7767243

SCHEMBL7767243

CCC[Si@H]1CC[C@H]([C@H]2CC[C@H](CCCCc3ccc(OCC(F)F)cc3)CC2)CC1

nearest known ligand 0.33

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ITGB3 P05106 8/20 0.33
ITGA2B P08514 8/20 0.33
S1PR1 P21453 3/20 0.33
S1PR4 O95977 2/20 0.33
S1PR5 Q9H228 2/20 0.33
S1PR2 O95136 1/20 0.33
S1PR3 Q99500 1/20 0.33
ADRB1 P08588 2/20 0.32
LMNA P02545 2/20 0.32
KMT2A Q03164 2/20 0.32
CYP2D6 P10635 1/20 0.32
MEN1 O00255 1/20 0.32
CYP1A2 P05177 1/20 0.32
CYP2C9 P11712 1/20 0.32
ADRB2 P07550 1/20 0.31
GAA P10253 1/20 0.31
BLM P54132 1/20 0.31
TMEM97 Q5BJF2 1/20 0.31
SIGMAR1 Q99720 1/20 0.31
ITGAV P06756 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
SCHEMBL7767242 1.00 ITGB3 (0.33) ITGB3ITGA2BS1PR1S1PR4S1PR5
SCHEMBL7767246 1.00 ITGB3 (0.33) ITGB3ITGA2BS1PR1S1PR4S1PR5
SCHEMBL7762662 0.88 RAB9A (0.38) ITGB3ITGA2BLMNAKMT2AMEN1
SCHEMBL7762671 0.88 RAB9A (0.38) ITGB3ITGA2BLMNAKMT2AMEN1
SCHEMBL7762668 0.88 RAB9A (0.38) ITGB3ITGA2BLMNAKMT2AMEN1
SCHEMBL7766081 0.87 MMP13 (0.32) ITGB3ITGA2BKMT2A
SCHEMBL7766077 0.87 MMP13 (0.32) ITGB3ITGA2BKMT2A
SCHEMBL7767647 0.86 ITGB3 (0.34) ITGB3ITGA2BLMNAKMT2AMEN1
SCHEMBL7766200 0.86 KCNH2 (0.41) ITGB3ITGA2BLMNAKMT2AMEN1
SCHEMBL7766181 0.86 KCNH2 (0.41) ITGB3ITGA2BLMNAKMT2AMEN1

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