SCHEMBL7759550

SCHEMBL7759550

CCCCC[SiH]1CCC(CCC2CCC(c3ccc(-c4ccc(OC(F)(F)F)cc4)cc3)CC2)CC1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 1/20 0.36
SCN9A Q15858 1/20 0.36
KDM1A O60341 2/20 0.36
RCOR1 Q9UKL0 1/20 0.36
CYP2C9 P11712 1/20 0.34
ALDH1A1 P00352 1/20 0.33
LMNA P02545 1/20 0.33
MAPT P10636 1/20 0.33
MEN1 O00255 1/20 0.33
MAPK1 P28482 1/20 0.33
KMT2A Q03164 1/20 0.33
P2RY14 Q15391 1/20 0.33
SPHK1 Q9NYA1 2/20 0.33
HDAC3 O15379 1/20 0.32
HDAC1 Q13547 1/20 0.32
HDAC2 Q92769 1/20 0.32
GPR88 Q9GZN0 1/20 0.32
MAOB P27338 1/20 0.32
HRH2 P25021 1/20 0.32
HRH1 P35367 1/20 0.32

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
SCHEMBL7759555 1.00 L3MBTL1 (0.36) L3MBTL1SCN9AKDM1ARCOR1CYP2C9
SCHEMBL7759558 0.97 KDM1A (0.38) L3MBTL1KDM1ARCOR1CYP2C9ALDH1A1
SCHEMBL7759554 0.97 KDM1A (0.38) L3MBTL1KDM1ARCOR1CYP2C9ALDH1A1
SCHEMBL8017669 0.92 L3MBTL1 (0.38) L3MBTL1SCN9AKDM1ARCOR1CYP2C9
SCHEMBL8017666 0.92 L3MBTL1 (0.38) L3MBTL1SCN9AKDM1ARCOR1CYP2C9
SCHEMBL8017671 0.92 L3MBTL1 (0.38) L3MBTL1SCN9AKDM1ARCOR1CYP2C9
SCHEMBL9008446 0.92 L3MBTL1 (0.38) L3MBTL1SCN9AKDM1ARCOR1CYP2C9
SCHEMBL7757589 0.92 L3MBTL1 (0.40) L3MBTL1SCN9AKDM1ARCOR1P2RY14
SCHEMBL7757593 0.92 L3MBTL1 (0.40) L3MBTL1SCN9AKDM1ARCOR1P2RY14
SCHEMBL7759942 0.89 KDM1A (0.40) L3MBTL1KDM1ARCOR1CYP2C9ALDH1A1

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
EP-0711777-B1 Cyclohexanone compounds, a process for preparing the cyclohexanone compounds, and a process for preparing silacyclohexane-based compounds from the cyclohexanone compounds SHINETSU CHEMICAL CO (JP) 2001-04-04 EP disclosed
EP-0711777-A1 Cyclohexanone compounds, a process for preparing the cyclohexanone compounds, and a process for preparing silacyclohexane-based compounds from the cyclohexanone compounds SHIN-ETSU CHEMICAL CO., LTD. (JP) 1996-05-15 EP disclosed