Demeton S

Demeton S

SCHEMBL11368667

CCOP(=O)(OCC)SCCSCC.FC(Cl)(Cl)Cl

nearest known ligand 0.53

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Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.49
CYP3A4 P08684 1/20 0.49
HSD17B10 Q99714 1/20 0.49
MEN1 O00255 1/20 0.37
KMT2A Q03164 1/20 0.37
TDP1 Q9NUW8 1/20 0.37

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
Demeton S SCHEMBL6732303 0.89 ALDH1A1 (0.59) ALDH1A1CYP3A4HSD17B10MEN1KMT2A
Demeton S SCHEMBL117918 0.89 ALDH1A1 (0.59) ALDH1A1CYP3A4HSD17B10MEN1KMT2A
Demeton S SCHEMBL9487482 0.88 ALDH1A1 (0.47) ALDH1A1CYP3A4HSD17B10MEN1KMT2A
Demeton S SCHEMBL7254122 0.86 ALDH1A1 (0.52) ALDH1A1CYP3A4HSD17B10MEN1KMT2A
Demeton S SCHEMBL20544186 0.82 ALDH1A1 (0.52) ALDH1A1CYP3A4HSD17B10MEN1KMT2A
Demeton S SCHEMBL8660394 0.79 ALDH1A1 (0.79) ALDH1A1CYP3A4HSD17B10MEN1KMT2A
Demeton S SCHEMBL11351352 0.79 ALDH1A1 (0.49) ALDH1A1CYP3A4HSD17B10MEN1KMT2A
Demeton S SCHEMBL11161454 0.79 ALDH1A1 (0.45) ALDH1A1CYP3A4HSD17B10MEN1KMT2A
Demeton S SCHEMBL10961233 0.78 ALDH1A1 (0.47) ALDH1A1CYP3A4HSD17B10MEN1KMT2A
Demeton S SCHEMBL10519618 0.78 ALDH1A1 (0.47) ALDH1A1CYP3A4HSD17B10MEN1KMT2A

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
EP-0039369-A1 Beclomethasone ester solvates, process for their preparation, and preparation of a formulation SCHERING CORPORATION (US) 1981-11-11 EP disclosed