SCHEMBL7767628

SCHEMBL7767628

CCC[Si@H]1CC[C@H](CCCC[C@H]2CC[C@H](c3ccc(OCCC(F)(F)F)c(F)c3)CC2)CC1

nearest known ligand 0.34

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
KDM1A O60341 2/20 0.34
SLC6A9 P48067 1/20 0.33
TLR9 Q9NR96 1/20 0.32
TLR8 Q9NR97 1/20 0.32
TLR7 Q9NYK1 1/20 0.32
TDP1 Q9NUW8 1/20 0.31
HPGD P15428 1/20 0.31
QPCT Q16769 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
SCHEMBL7767631 1.00 KDM1A (0.34) KDM1ASLC6A9TLR9TLR8TLR7
SCHEMBL7767626 1.00 KDM1A (0.34) KDM1ASLC6A9TLR9TLR8TLR7
SCHEMBL7765306 0.90 KDM1A (0.35) KDM1ATLR9TLR8TLR7TDP1
SCHEMBL7765301 0.90 KDM1A (0.35) KDM1ATLR9TLR8TLR7TDP1
SCHEMBL7765296 0.90 KDM1A (0.35) KDM1ATLR9TLR8TLR7TDP1
SCHEMBL7769945 0.86 EPHX2 (0.33) KDM1A
SCHEMBL7769939 0.86 EPHX2 (0.33) KDM1A
SCHEMBL7769941 0.86 EPHX2 (0.33) KDM1A
SCHEMBL7767178 0.85 KDM1A (0.34) KDM1ATDP1
SCHEMBL7767175 0.85 KDM1A (0.34) KDM1ATDP1

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