SCHEMBL28100623

SCHEMBL28100623

C(OCC1CO1)C1CO1.CCO[SiH](OCC)OCC.[SiH4]

nearest known ligand 0.50

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 2/20 0.50
ALDH1A1 P00352 9/20 0.47
TDP1 Q9NUW8 2/20 0.47
TSHR P16473 5/20 0.47
MAPK1 P28482 1/20 0.47
GLA P06280 1/20 0.32
TP53 P04637 3/20 0.31
MAPT P10636 2/20 0.31
HPGD P15428 2/20 0.31
HIF1A Q16665 2/20 0.31
MEN1 O00255 1/20 0.31
CYP1A2 P05177 1/20 0.31
KMT2A Q03164 1/20 0.31
PPARG P37231 1/20 0.31
CYP3A4 P08684 1/20 0.31
PDK1 Q15118 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
SCHEMBL28473229 0.98 SMN1; SMN2 (0.52) SMN1; SMN2ALDH1A1TDP1TSHRMAPK1
SCHEMBL11710041 0.86 SMN1; SMN2 (0.43) SMN1; SMN2ALDH1A1TDP1TSHRMAPK1
SCHEMBL20547284 0.86 SMN1; SMN2 (0.60) SMN1; SMN2ALDH1A1TDP1TSHRMAPK1
SCHEMBL28481051 0.85 SMN1; SMN2 (0.42) SMN1; SMN2ALDH1A1TDP1TSHRMAPK1
SCHEMBL3843910 0.83 TSHR (0.64) SMN1; SMN2ALDH1A1TDP1TSHRMAPK1
SCHEMBL3479893 0.83 SMN1; SMN2 (0.41) SMN1; SMN2ALDH1A1TDP1TSHRMAPK1
SCHEMBL10530137 0.82 SMN1; SMN2 (0.39) SMN1; SMN2ALDH1A1TDP1TSHRMAPK1
Ether SCHEMBL539347 0.81 SMN1; SMN2 (0.58) SMN1; SMN2ALDH1A1TDP1TSHRMAPK1
SCHEMBL28218379 0.81 ALDH1A1 (0.72) SMN1; SMN2ALDH1A1TDP1TSHRMAPK1
Propane SCHEMBL29201 0.81 SMN1; SMN2 (0.62) SMN1; SMN2ALDH1A1TDP1TSHRMAPK1

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-106029769-A Rubber composition for studless winter tire and studless winter tire 住友橡胶工业株式会社 2016-10-12 CN disclosed