SCHEMBL28098649

SCHEMBL28098649

CCNCCC[Si](OCC)(OCC)OC(C)CC

nearest known ligand 0.34

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
CYP2C19 P33261 2/20 0.34
MEN1 O00255 1/20 0.34
GLA P06280 1/20 0.34
KMT2A Q03164 1/20 0.34
CYP1A2 P05177 1/20 0.33
TSHR P16473 1/20 0.33

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
SCHEMBL27966130 0.87 CA12 (0.33) MEN1KMT2A
SCHEMBL7618805 0.85
SCHEMBL27941393 0.83
SCHEMBL3413635 0.83 CYP2C19 (0.34) CYP2C19MEN1GLAKMT2ACYP1A2
SCHEMBL28098663 0.83 CYP2C19 (0.34) CYP2C19MEN1GLAKMT2ACYP1A2
SCHEMBL3631277 0.83 CYP2C19 (0.34) CYP2C19MEN1GLAKMT2ACYP1A2
SCHEMBL270457 0.82 CYP2C19 (0.46) CYP2C19MEN1GLAKMT2ACYP1A2
SCHEMBL4436988 0.80
Ammonia Solution, Strong SCHEMBL7647790 0.80 CYP2C19 (0.44) CYP2C19MEN1GLAKMT2ACYP1A2
Diethylamine SCHEMBL7638457 0.80 CYP2C19 (0.44) CYP2C19MEN1GLAKMT2ACYP1A2

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-102702246-B Amino-acid modified silane compound and preparation method 信越化学工业株式会社 2016-09-28 CN disclosed