SCHEMBL8728609

SCHEMBL8728609

CCCCCCC[Si@H]1CC[C@H](CCc2ccc(C(F)=CF)cc2)CC1

nearest known ligand 0.35

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
THRA P10827 8/20 0.35
THRB P10828 8/20 0.35
MEN1 O00255 1/20 0.34
KMT2A Q03164 1/20 0.34
ATG4B Q9Y4P1 10/20 0.33
PLA2G1B P04054 8/20 0.33
CYP1A2 P05177 1/20 0.33
TDP1 Q9NUW8 1/20 0.33
RECQL P46063 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
SCHEMBL8728614 1.00 THRA (0.35) THRATHRBMEN1KMT2AATG4B
SCHEMBL8728604 1.00 THRA (0.35) THRATHRBMEN1KMT2AATG4B
SCHEMBL7767831 0.86 ITGB3 (0.35) THRATHRBMEN1KMT2AATG4B
SCHEMBL7767827 0.86 ITGB3 (0.35) THRATHRBMEN1KMT2AATG4B
SCHEMBL7767822 0.86 ITGB3 (0.35) THRATHRBMEN1KMT2AATG4B
SCHEMBL7767824 0.86 ITGB3 (0.35) THRATHRBMEN1KMT2AATG4B
SCHEMBL8731311 0.83 RARB (0.37)
SCHEMBL8731307 0.83 RARB (0.37)
SCHEMBL8731315 0.83 RARB (0.37)
SCHEMBL8727677 0.82

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5730901-A Silacyclohexane compounds, preparation thereof liquid crystal compositions comprising the same, and liquid crystal devices comprising the composition SHIN-ETSU CHEMICAL CO., LTD. (JP) 1998-03-24 US disclosed
EP-0742222-A2 Novel silacyclohexane compounds, preparation thereof, liquid crystal compositions comprising the same, and liquid crystal devices comprising the composition SHIN-ETSU CHEMICAL CO., LTD. (JP) 1996-11-13 EP disclosed