SCHEMBL7765302

SCHEMBL7765302

CCCCC[Si@H]1CC[C@H]([C@H]2CC[C@H](CCCCc3ccc(OCC(F)(F)F)c(F)c3)CC2)CC1

nearest known ligand 0.33

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
HTR2A P28223 1/20 0.32
ITGB3 P05106 1/20 0.31
ITGA2B P08514 1/20 0.31
S1PR1 P21453 4/20 0.31
MOGAT2 Q3SYC2 1/20 0.31
S1PR3 Q99500 2/20 0.30
S1PR2 O95136 1/20 0.30
LPAR2 Q9HBW0 1/20 0.30
KCNH2 Q12809 1/20 0.30
MCHR1 Q99705 1/20 0.30

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
SCHEMBL7765307 1.00 HTR2A (0.32) HTR2AITGB3ITGA2BS1PR1MOGAT2
SCHEMBL7765298 1.00 HTR2A (0.32) HTR2AITGB3ITGA2BS1PR1MOGAT2
SCHEMBL7762518 0.93 ITGB3 (0.30) ITGB3ITGA2BS1PR1
SCHEMBL7762528 0.93 ITGB3 (0.30) ITGB3ITGA2BS1PR1
SCHEMBL7762522 0.93 ITGB3 (0.30) ITGB3ITGA2BS1PR1
SCHEMBL7765299 0.92 KDM1A (0.34) ITGB3ITGA2BS1PR1S1PR3S1PR2
SCHEMBL7765309 0.92 KDM1A (0.34) ITGB3ITGA2BS1PR1S1PR3S1PR2
SCHEMBL7765303 0.92 KDM1A (0.34) ITGB3ITGA2BS1PR1S1PR3S1PR2
SCHEMBL7762624 0.91 ITGB3 (0.31) ITGB3ITGA2B
SCHEMBL7762620 0.91 ITGB3 (0.31) ITGB3ITGA2B

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