SCHEMBL7762532

SCHEMBL7762532

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

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM1A O60341 1/20 0.37
POLQ O75417 1/20 0.33
DRD2 P14416 2/20 0.32
CHRM2 P08172 1/20 0.32
CHRNB2 P17787 1/20 0.32
DRD4 P21917 1/20 0.32
CHRNB4 P30926 1/20 0.32
CHRNA3 P32297 1/20 0.32
DRD3 P35462 1/20 0.32
CHRNA7 P36544 1/20 0.32
CHRNA4 P43681 1/20 0.32
TMEM97 Q5BJF2 1/20 0.32
MEN1 O00255 2/20 0.32
KMT2A Q03164 2/20 0.32
CYP2C9 P11712 1/20 0.32
SPHK1 Q9NYA1 2/20 0.32
HTR2A P28223 1/20 0.32
CNR2 P34972 2/20 0.31
MAPT P10636 2/20 0.31
GAA P10253 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
SCHEMBL7762536 1.00 KDM1A (0.37) KDM1APOLQDRD2CHRM2CHRNB2
SCHEMBL7762527 1.00 KDM1A (0.37) KDM1APOLQDRD2CHRM2CHRNB2
SCHEMBL7769814 0.92 MEN1 (0.31) MEN1KMT2ACYP2C9MAPTGAA
SCHEMBL7769816 0.92 MEN1 (0.31) MEN1KMT2ACYP2C9MAPTGAA
SCHEMBL8108873 0.90 KDM1A (0.44) KDM1APOLQDRD2CHRM2CHRNB2
SCHEMBL7769995 0.89 MEN1 (0.34) KDM1AMEN1KMT2ACYP2C9SPHK1
SCHEMBL7769997 0.89 MEN1 (0.34) KDM1AMEN1KMT2ACYP2C9SPHK1
SCHEMBL7770000 0.89 MEN1 (0.34) KDM1AMEN1KMT2ACYP2C9SPHK1
SCHEMBL8021295 0.88 KIF11 (0.33) KDM1AHTR2A
SCHEMBL9008548 0.88 KIF11 (0.33) KDM1AHTR2A

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