SCHEMBL17898805

SCHEMBL17898805

C[C@@H]1OC(=O)[C@@H](NC(=O)OC(C)(C)C)CCCC[C@H](Cc2ccccc2)[C@H]1Oc1ccccc1

nearest known ligand 0.42

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
BACE1 P56817 2/20 0.37
NAAA Q02083 1/20 0.36
KDM1A O60341 1/20 0.36
MAOB P27338 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
SCHEMBL16605405 0.98 KMT2A (0.43) KMT2AL3MBTL1BACE1NAAAKDM1A
SCHEMBL16604080 0.93 KMT2A (0.38) KMT2AL3MBTL1NAAAKDM1AMAOB
SCHEMBL16605382 0.92 KMT2A (0.38) KMT2AL3MBTL1NAAAKDM1AMAOB
SCHEMBL16605387 0.92 KMT2A (0.38) KMT2AL3MBTL1
SCHEMBL17898719 0.89 REN (0.37) KMT2AL3MBTL1NAAAKDM1AMAOB
SCHEMBL16604078 0.89 KMT2A (0.40) KMT2AL3MBTL1BACE1KDM1AMAOB
SCHEMBL16605388 0.88 KMT2A (0.38) KMT2AL3MBTL1NAAAKDM1AMAOB
SCHEMBL15370900 0.88 KMT2A (0.39) KMT2AL3MBTL1KDM1AMAOB
SCHEMBL16604069 0.87 KMT2A (0.39) KMT2AL3MBTL1KDM1AMAOB
SCHEMBL16604073 0.87 KMT2A (0.39) KMT2AL3MBTL1KDM1AMAOB

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