SCHEMBL8019221

SCHEMBL8019221

CCC[Si@H]1CC[C@H](CCC2CCC(c3cc(F)c(-c4ccc(OC(F)(F)F)cc4)c(F)c3)CC2)CC1

nearest known ligand 0.32

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
KDM1A O60341 1/20 0.32
RCOR1 Q9UKL0 1/20 0.32
MMP12 P39900 2/20 0.31
L3MBTL1 Q9Y468 1/20 0.31
CHRM2 P08172 1/20 0.31
CHRM5 P08912 1/20 0.31
CHRM1 P11229 1/20 0.31
CHRM3 P20309 1/20 0.31
BTK Q06187 1/20 0.31
GRIN2B Q13224 1/20 0.30
PDE2A O00408 1/20 0.30
CCNA2 P20248 1/20 0.30
CDK2 P24941 1/20 0.30
CCNA1 P78396 1/20 0.30
TRPV1 Q8NER1 1/20 0.30
DPP4 P27487 1/20 0.30
DPP7 Q9UHL4 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
SCHEMBL8019225 1.00 KDM1A (0.32) KDM1ARCOR1MMP12L3MBTL1CHRM2
SCHEMBL9008569 1.00 KDM1A (0.32) KDM1ARCOR1MMP12L3MBTL1CHRM2
SCHEMBL8019223 1.00 KDM1A (0.32) KDM1ARCOR1MMP12L3MBTL1CHRM2
SCHEMBL8440997 0.93 KDM1A (0.34) KDM1ARCOR1L3MBTL1BTKGRIN2B
SCHEMBL8440999 0.93 KDM1A (0.34) KDM1ARCOR1L3MBTL1BTKGRIN2B
SCHEMBL7755773 0.91 KDM1A (0.32) KDM1ARCOR1L3MBTL1BTKGRIN2B
SCHEMBL8537683 0.91 KDM1A (0.32) KDM1ARCOR1L3MBTL1BTKGRIN2B
SCHEMBL8537682 0.91 KDM1A (0.32) KDM1ARCOR1L3MBTL1BTKGRIN2B
SCHEMBL8771250 0.87 SCN9A (0.35) KDM1ARCOR1L3MBTL1GRIN2B
SCHEMBL8771255 0.87 SCN9A (0.35) KDM1ARCOR1L3MBTL1GRIN2B

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-0670322-B1 A silacyclohexane compound, a method of preparing it and a liquid crystal composition containing it SHINETSU CHEMICAL CO (JP) 2000-01-19 EP disclosed
US-5582764-A Silacyclohexane compound, a method of preparing it and a liquid crystal composition containing it SHIN-ETSU CHEMICAL CO., LTD. (JP) 1996-12-10 US disclosed
EP-0670322-A1 A silacyclohexane compound, a method of preparing it and a liquid crystal composition containing it Shin-Etsu Chemical Co., Ltd. (JP) 1995-09-06 EP disclosed