Sugi Predict

Sugi Predict / Compounds / Demeton S

Demeton S

Demeton S

SCHEMBL9487482

CCOP(=O)(OCC)SCCSCC.FCC(F)(F)F

nearest known ligand 0.52

Full drug profile on Sugi Atlas →

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 1/20 0.47
▸ CYP3A4 P08684 1/20 0.47
▸ HSD17B10 Q99714 1/20 0.47
▸ MEN1 O00255 1/20 0.36
▸ KMT2A Q03164 1/20 0.36
▸ TDP1 Q9NUW8 1/20 0.36

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 SCHEMBL11368667 0.88 ALDH1A1 (0.49) ALDH1A1CYP3A4HSD17B10MEN1KMT2A
Demeton S SCHEMBL117918 0.88 ALDH1A1 (0.59) ALDH1A1CYP3A4HSD17B10MEN1KMT2A
Demeton S SCHEMBL6732303 0.88 ALDH1A1 (0.59) ALDH1A1CYP3A4HSD17B10MEN1KMT2A
Demeton S SCHEMBL7254122 0.84 ALDH1A1 (0.52) ALDH1A1CYP3A4HSD17B10MEN1KMT2A
Demeton S SCHEMBL20544186 0.81 ALDH1A1 (0.52) ALDH1A1CYP3A4HSD17B10MEN1KMT2A
Demeton S SCHEMBL8660394 0.78 ALDH1A1 (0.79) ALDH1A1CYP3A4HSD17B10MEN1KMT2A
Demeton S SCHEMBL11351352 0.78 ALDH1A1 (0.49) ALDH1A1CYP3A4HSD17B10MEN1KMT2A
Demeton S SCHEMBL10519618 0.77 ALDH1A1 (0.47) ALDH1A1CYP3A4HSD17B10MEN1KMT2A
Demeton S SCHEMBL10961233 0.77 ALDH1A1 (0.47) ALDH1A1CYP3A4HSD17B10MEN1KMT2A
Demeton S SCHEMBL9344632 0.75 ALDH1A1 (0.46) ALDH1A1CYP3A4HSD17B10

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-0372777-B1 MEDICINAL AEROSOL FORMULATIONS RIKER LABORATORIES, INC. (US) 1993-01-07 — — EP claimed