SCHEMBL17898712

SCHEMBL17898712

CC(C)CO[C@H]1[C@H](C)OC(=O)[C@@H](NC(=O)OC(C)(C)C)CCOC[C@@H]1Oc1ccccc1

nearest known ligand 0.36

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
KDM1A O60341 1/20 0.36
MAOB P27338 1/20 0.36
GAA P10253 1/20 0.35
KLK5 Q9Y337 3/20 0.34
KLK7 P49862 2/20 0.34
KMT2A Q03164 2/20 0.34
L3MBTL1 Q9Y468 1/20 0.34
CTSL P07711 1/20 0.33
CTSS P25774 1/20 0.33
CTSK P43235 1/20 0.33
NAAA Q02083 1/20 0.32
KCNA3 P22001 1/20 0.32
MEN1 O00255 1/20 0.32
CYP1A2 P05177 1/20 0.32
CTSD P07339 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
SCHEMBL17898714 0.93 KDM1A (0.36) KDM1AMAOBGAAKLK5KLK7
SCHEMBL17898913 0.90 GAA (0.36) KDM1AMAOBGAAKMT2AL3MBTL1
SCHEMBL17898879 0.90 GAA (0.39) KDM1AMAOBGAAKMT2AL3MBTL1
SCHEMBL17898912 0.89 GAA (0.40) GAACTSLCTSSCTSKCTSD
SCHEMBL17899056 0.88 GAA (0.34) KDM1AMAOBGAAKLK5KLK7
SCHEMBL17898915 0.88 GAA (0.34) KDM1AMAOBGAAKMT2AL3MBTL1
SCHEMBL19628412 0.87 GAA (0.41) KDM1AMAOBGAAKMT2AL3MBTL1
SCHEMBL17898754 0.86 KMT2A (0.38) KDM1AMAOBGAAKMT2AL3MBTL1
SCHEMBL17899059 0.85 GAA (0.38) KDM1AMAOBGAAKMT2AL3MBTL1
SCHEMBL17898908 0.84 GAA (0.39) KDM1AMAOBGAAKMT2AL3MBTL1

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