Validamycin A

Validamycin A

SCHEMBL19231832

OCC1=C[C@H](N[C@H]2C[C@@H](CO)[C@@H](O[C@@H]3OC(CO)[C@@H](O)C(O)[C@@H]3O)C(O)C2O)[C@@H](O)C(O)[C@@H]1O

nearest known ligand 0.64

Full drug profile on Sugi Atlas →

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
AMY2A P04746 8/20 0.56
MGAM O43451 6/20 0.56
SI P14410 5/20 0.56
GAA P10253 4/20 0.56
AMY1A P0DUB6 3/20 0.56
CNR1 P21554 1/20 0.56
PTGS1 P23219 1/20 0.56
PDE4A P27815 1/20 0.56
PDE3A Q14432 1/20 0.56
MGAM2 Q2M2H8 1/20 0.56
ALDH1A1 P00352 1/20 0.56
GLA P06280 1/20 0.56
TREH O43280 1/20 0.55

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
Validamycin A SCHEMBL29451180 1.00 AMY2A (0.56) AMY2AMGAMSIGAAAMY1A
Validamycin A SCHEMBL14409005 1.00 AMY2A (0.56) AMY2AMGAMSIGAAAMY1A
Validamycin A SCHEMBL8819801 1.00 AMY2A (0.56) AMY2AMGAMSIGAAAMY1A
Validamycin A SCHEMBL14408710 1.00 AMY2A (0.56) AMY2AMGAMSIGAAAMY1A
Validamycin A SCHEMBL15906030 1.00 AMY2A (0.56) AMY2AMGAMSIGAAAMY1A
Validamycin SCHEMBL3121491 1.00 AMY2A (0.56) AMY2AMGAMSIGAAAMY1A
Validamycin A SCHEMBL10033386 1.00 AMY2A (0.56) AMY2AMGAMSIGAAAMY1A
Validamycin A SCHEMBL16028080 1.00 AMY2A (0.56) AMY2AMGAMSIGAAAMY1A
Validamycin A SCHEMBL14408718 1.00 AMY2A (0.56) AMY2AMGAMSIGAAAMY1A
Validamycin A SCHEMBL12347612 1.00 AMY2A (0.56) AMY2AMGAMSIGAAAMY1A

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-9730445-B2 Herbicidal compositions comprising 4-amino-3-chloro-5-fluoro-6-(4-chloro-2-fluoro-3-methoxyphenyl) pyridine-2-carboxylic acid or a derivative thereof and fungicides DOW AGROSCIENCES LLC (US) 2017-08-15 US disclosed