SCHEMBL8096487

SCHEMBL8096487

CCCO[Si]([O])(OCCC)C(C)N(C)C(C)=O

nearest known ligand 0.33

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
ACACB O00763 1/20 0.32
ALDH1A1 P00352 1/20 0.31
CHRM2 P08172 3/20 0.31
CHRM4 P08173 3/20 0.31
CHRM5 P08912 3/20 0.31
CHRM1 P11229 3/20 0.31
CHRM3 P20309 3/20 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
SCHEMBL8097956 0.85 ACACB (0.36) ACACB
SCHEMBL8098363 0.84 CHRM2 (0.32) ACACBCHRM2CHRM4CHRM5CHRM1
SCHEMBL8096491 0.82 CHRM2 (0.31) CHRM2CHRM4CHRM5CHRM1CHRM3
SCHEMBL2440141 0.72 ACACB (0.34) ACACBALDH1A1CHRM2CHRM4CHRM5
SCHEMBL7782432 0.70 ACACB (0.33) ACACB
SCHEMBL7787271 0.70 ACACB (0.33) ACACB
SCHEMBL7790227 0.69 PIK3CD (0.31) ALDH1A1
SCHEMBL7790221 0.69 ACACB (0.33) ACACB
SCHEMBL8104959 0.69 ACACB (0.33) ACACB
SCHEMBL7790253 0.65 ALDH1A1 (0.32) ALDH1A1CHRM2CHRM4CHRM5CHRM1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6018011-A OBTAINED BY REACTING A POLYORGANOSILOXANE, WITH A REACTION PRODUCT OF AN ORGANOSILANE OF GIVEN FORMULA AND N-1-((METHYLDIETHOXYSILOXY)DIETHOXYSILYL)ETHYL-2-PYRROLIDONE; USE IN ALKOXY-CROSSLINKING RTV SILICONE RUBBER MIXTURES HUELS SILICONE GMBH (DE) 2000-01-25 US disclosed