SCHEMBL9766878

SCHEMBL9766878

O=C(O)OCCOCCOC(=O)O.[SiH3]O[SiH3]

nearest known ligand 0.42

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.42
TSHR P16473 3/20 0.42
TP53 P04637 2/20 0.42
HIF1A Q16665 2/20 0.42
HSD17B10 Q99714 2/20 0.42
THRB P10828 1/20 0.37
BLM P54132 1/20 0.36
PMP22 Q01453 1/20 0.36
SERPINE1 P05121 1/20 0.34
SMN1; SMN2 Q16637 2/20 0.33
MEN1 O00255 2/20 0.32
KMT2A Q03164 2/20 0.32
LMNA P02545 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
SCHEMBL22129561 0.91 ALDH1A1 (0.48) ALDH1A1TSHRTP53HIF1AHSD17B10
SCHEMBL1315512 0.91 ALDH1A1 (0.48) ALDH1A1TSHRTP53HIF1AHSD17B10
SCHEMBL31341392 0.91 ALDH1A1 (0.48) ALDH1A1TSHRTP53HIF1AHSD17B10
SCHEMBL29842694 0.91 ALDH1A1 (0.48) ALDH1A1TSHRTP53HIF1AHSD17B10
Boric Acid SCHEMBL28351295 0.83 ALDH1A1 (0.42) ALDH1A1TSHRTP53HIF1AHSD17B10
SCHEMBL20649 0.82 ALDH1A1 (0.35) ALDH1A1TSHRTP53HIF1AHSD17B10
SCHEMBL3542873 0.81 MEN1 (0.58) ALDH1A1TSHRTP53HIF1AHSD17B10
SCHEMBL3543017 0.81 MEN1 (0.58) ALDH1A1TSHRTP53HIF1AHSD17B10
SCHEMBL3542794 0.81 MEN1 (0.58) ALDH1A1TSHRTP53HIF1AHSD17B10
SCHEMBL4362192 0.81 ALDH1A1 (0.46) ALDH1A1TSHRTP53HIF1AHSD17B10

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-5063044-A Carboxy and carboxy-glycol ether and ester functional siloxane containing hair conditioners and shampoos DOW CORNING CORPORATION (US) 1991-11-05 US disclosed