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Sugi Predict / Compounds / Malotilate

Malotilate

Malotilate

SCHEMBL5489569

CC(C)OC(=O)C(C(=O)OC(C)C)=C1SC=CS1.O=C1C=CC(=O)N1

nearest known ligand 0.75

Full drug profile on Sugi Atlas →

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ ADRA1A P35348 1/20 0.75
▸ PDE4D Q08499 1/20 0.75
▸ GSK3A P49840 1/20 0.34
▸ GSK3B P49841 1/20 0.34
▸ CCR6 P51684 1/20 0.34
▸ MMP1 P03956 1/20 0.30
▸ MMP2 P08253 1/20 0.30
▸ MMP9 P14780 1/20 0.30
▸ MMP12 P39900 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
Malotilate SCHEMBL635496 0.87 ADRA1A (1.00) ADRA1APDE4D
SCHEMBL8050522 0.79 ADRA1A (0.77) ADRA1APDE4D
SCHEMBL8055886 0.78 ADRA1A (0.82) ADRA1APDE4D
SCHEMBL9706734 0.77 ADRA1A (0.79) ADRA1APDE4D
SCHEMBL10614796 0.75 ADRA1A (0.75) ADRA1APDE4D
SCHEMBL9706745 0.75 ADRA1A (0.75) ADRA1APDE4D
SCHEMBL9706771 0.74 ADRA1A (0.74) ADRA1APDE4D
SCHEMBL9706732 0.73 ADRA1A (0.72) ADRA1APDE4D
SCHEMBL9674429 0.73 ADRA1A (0.66) ADRA1APDE4D
SCHEMBL9674608 0.72 ADRA1A (0.69) ADRA1APDE4D

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
WO-2007062198-A1 METHODS TO ACCELERATE THE ISOLATION OF NOVEL CELL STRAINS FROM PLURIPOTENT STEM CELLS AND CELLS OBTAINED THEREBY ADVANCED CELL TECHNOLOGY, INC. (US) 2007-05-31 — — WO disclosed