Sugi Predict

Sugi Predict / Compounds / SCHEMBL17898729

SCHEMBL17898729

SCHEMBL17898729

C=C(C)CO[C@@H]1[C@@H](CCC)CCCC[C@H](NC(=O)OC(C)(C)C)C(=O)O[C@H]1C

nearest known ligand 0.41

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ GAA P10253 1/20 0.34
▸ NAAA Q02083 2/20 0.34
▸ ALDH1A1 P00352 1/20 0.33
▸ KMT2A Q03164 1/20 0.33
▸ F2 P00734 1/20 0.31
▸ F10 P00742 1/20 0.31
▸ PRSS1 P07477 1/20 0.31

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
SCHEMBL17893009 0.88 NAAA (0.32) NAAA
SCHEMBL17898745 0.86 GAA (0.35) GAANAAAALDH1A1KMT2AF2
SCHEMBL17898731 0.82 GAA (0.39) GAANAAAALDH1A1KMT2AF2
SCHEMBL17898872 0.82 NAAA (0.36) GAANAAAALDH1A1KMT2AF2
SCHEMBL17898867 0.81 GAA (0.34) GAANAAAALDH1A1KMT2AF2
SCHEMBL19084175 0.81 GAA (0.43) GAANAAAF2F10PRSS1
SCHEMBL19628409 0.80 GAA (0.35) GAA
SCHEMBL17898717 0.79 NAAA (0.39) GAANAAA
SCHEMBL19084159 0.79 NAAA (0.41) GAANAAAALDH1A1KMT2A
SCHEMBL17898728 0.79 GAA (0.39) GAA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2016109290-A1 MACROCYCLIC PICOLINAMIDE COMPOUNDS WITH FUNGICIDAL ACTIVITY DOW AGROSCIENCES LLC (US) 2016-07-07 — — WO disclosed
WO-2016109291-A1 USE OF MACROCYCLIC PICOLINAMIDES AS FUNGICIDES DOW AGROSCIENCES LLC (US) 2016-07-07 — — WO disclosed