SCHEMBL636798

SCHEMBL636798

CCC(CO)(CO)COC(=O)C(S)(S)OS

nearest known ligand 0.35

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.35
TP53 P04637 1/20 0.35
CYP3A4 P08684 1/20 0.35
MAPK1 P28482 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
HIF1A Q16665 1/20 0.35
THRB P10828 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
SCHEMBL899906 0.83 ALDH1A1 (0.38) ALDH1A1TP53CYP3A4MAPK1SMN1; SMN2
SCHEMBL3010343 0.81 ALDH1A1 (0.37) ALDH1A1TP53CYP3A4MAPK1SMN1; SMN2
SCHEMBL1261562 0.79 ALDH1A1 (0.35) ALDH1A1TP53CYP3A4MAPK1SMN1; SMN2
SCHEMBL636800 0.76
SCHEMBL7085097 0.76 MAPK1 (0.38) ALDH1A1TP53CYP3A4MAPK1SMN1; SMN2
SCHEMBL4186309 0.76 ALDH1A1 (0.38) ALDH1A1TP53CYP3A4MAPK1SMN1; SMN2
SCHEMBL7081957 0.76 ALDH1A1 (0.38) ALDH1A1TP53CYP3A4MAPK1SMN1; SMN2
SCHEMBL27165259 0.74 ALDH1A1 (0.37) ALDH1A1TP53CYP3A4MAPK1SMN1; SMN2
SCHEMBL6056074 0.74 ALDH1A1 (0.37) ALDH1A1TP53CYP3A4MAPK1SMN1; SMN2
SCHEMBL10637666 0.73 MEN1 (0.41) ALDH1A1TP53CYP3A4MAPK1SMN1; SMN2

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1775315-B1 POLYMERIZABLE COMPOSITION MITSUBISHI GAS CHEMICAL CO (JP) 2012-02-22 EP disclosed
US-20080097045-A1 Polymerizable Composition MITSUBISHI GAS CHEMICAL COMPANY, INC. (JP) 2008-04-24 US disclosed
EP-1775315-A1 POLYMERIZABLE COMPOSITION MITSUBISHI GAS CHEMICAL COMPANY, INC. (JP) 2007-04-18 EP disclosed