SCHEMBL28080799

SCHEMBL28080799

C=CN(Cc1ccccc1)C(CNCC)C[Si](OC)(OC)OC

nearest known ligand 0.32

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
GAA P10253 1/20 0.32
ALDH1A1 P00352 1/20 0.32
NPSR1 Q6W5P4 1/20 0.32
HTT P42858 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
SCHEMBL6059277 0.72 CARM1 (0.31) GAA
SCHEMBL1706150 0.69 SIGMAR1 (0.38) GAAHTT
SCHEMBL1066957 0.67 HTT (0.36) HTT
SCHEMBL5255176 0.66 ALDH1A1 (0.32) GAAALDH1A1NPSR1
Hydrochloric Acid SCHEMBL18544208 0.66 HTT (0.38) HTT
SCHEMBL19776798 0.66 TSHR (0.45) GAAALDH1A1
Hydrochloric Acid SCHEMBL9720358 0.65 ALDH1A1 (0.32) ALDH1A1NPSR1
Hydrochloric Acid SCHEMBL9876959 0.64 TSHR (0.43) GAAALDH1A1
SCHEMBL28733160 0.64 CARM1 (0.31) GAA
SCHEMBL7794040 0.64 CARM1 (0.34) GAA

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
CN-102286179-B Butyl rubber compounds including the mixed modifier system of three kinds of components 朗盛公司 2016-06-29 CN disclosed