SCHEMBL8100830

SCHEMBL8100830

C[Si](C)(C)O[Si](C)(C)CCCN1CCCCC1

nearest known ligand 0.46

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 11/20 0.46
CYP1A2 P05177 1/20 0.37
MAPK1 P28482 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
KCNH2 Q12809 2/20 0.36
HRH1 P35367 2/20 0.35
HRH4 Q9H3N8 1/20 0.35
CYP3A4 P08684 1/20 0.35
CYP2C9 P11712 1/20 0.35

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
SCHEMBL4941709 0.88 HRH3 (0.39) HRH3CYP1A2KCNH2CYP3A4
SCHEMBL29496667 0.85 HRH3 (0.46) HRH3CYP1A2MAPK1SMN1; SMN2KCNH2
SCHEMBL4934531 0.82 HRH3 (0.43) HRH3CYP1A2MAPK1SMN1; SMN2KCNH2
SCHEMBL9516643 0.82 HRH3 (0.48) HRH3CYP1A2MAPK1SMN1; SMN2KCNH2
SCHEMBL15489982 0.82 CXCR4 (0.49) HRH3CYP1A2MAPK1SMN1; SMN2HRH1
SCHEMBL4940687 0.80 CARM1 (0.42) HRH3HRH1
SCHEMBL16714779 0.79 HRH3 (0.45) HRH3CYP1A2MAPK1SMN1; SMN2KCNH2
SCHEMBL25782610 0.78 HRH3 (0.43) HRH3CYP1A2MAPK1SMN1; SMN2KCNH2
SCHEMBL434853 0.77 HRH3 (0.56) HRH3CYP1A2MAPK1SMN1; SMN2KCNH2
SCHEMBL4455120 0.76 HRH3 (0.39) HRH3CYP1A2MAPK1SMN1; SMN2KCNH2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0700951-B1 Polyorganosiloxane and process for producing the same SHOWA DENKO KK (JP) 2000-12-27 EP disclosed
US-5576247-A ATTACHING HYDROPHOBIC ORGANIC GROUPS TO BORON-PHOSPHOROUS-SILICA LAYER TO PROVIDE MOISTURE BARRIER, REACTION WITH HEXAMETHYDISILAZANE MATSUSHITA ELECTRIC INDUSTRIAL CO., LTD. (JP) 1996-11-19 US disclosed
EP-0700951-A1 Polyorganosiloxane and process for producing the same SHOWA DENKO KABUSHIKI KAISHA (JP) 1996-03-13 EP disclosed
US-5491203-A COMPRISES POLYSILSESQUIOXANE STRUCTURE; HAS METHYL GROUP AND A REACTIVE GROUP ON SIDE CHAINS; SUITABLE AS POLYMER MODIFIER; CROSSLINKING; COATINGS SHOWA DENKO K. K. (JP) 1996-02-13 US disclosed