SCHEMBL29130116

SCHEMBL29130116

C=C(C)C(=O)OC(CNC(=O)OCC)C[Si](OCC)(OCC)OCC

nearest known ligand 0.33

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.33
GAA P10253 1/20 0.33
KMT2A Q03164 1/20 0.33
THRB P10828 1/20 0.33
TSHR P16473 1/20 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
SCHEMBL81024 0.80 THRB (0.36) THRBTSHR
SCHEMBL10754523 0.75 CYP2D6 (0.30)
SCHEMBL1143804 0.72 THRB (0.41) THRBTSHR
SCHEMBL27753512 0.72 THRB (0.30) THRB
SCHEMBL31484380 0.72 THRB (0.34) THRBTSHR
SCHEMBL1132684 0.71 ALDH1A1 (0.33) THRBTSHR
Hydrogen Sulfide SCHEMBL28707924 0.69 THRB (0.32) THRBTSHR
SCHEMBL31484376 0.69 TSHR (0.37) THRBTSHR
SCHEMBL1132758 0.68 TSHR (0.40) THRBTSHR
SCHEMBL18756824 0.67 ALDH1A1 (0.39) THRBTSHR

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-116964228-A Composition and method for waterproofing leather 斯塔尔国际有限公司 2023-10-27 CN disclosed