SCHEMBL17898719

SCHEMBL17898719

C[C@@H]1OC(=O)[C@@H](NC(=O)OC(C)(C)C)CCCC[C@H](CC2CCCC2)[C@H]1Oc1ccccc1

nearest known ligand 0.40

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
REN P00797 9/20 0.37
KMT2A Q03164 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.37
KDM1A O60341 1/20 0.36
MAOB P27338 1/20 0.36
NAAA Q02083 1/20 0.35

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
SCHEMBL16605388 0.99 KMT2A (0.38) RENKMT2AL3MBTL1KDM1AMAOB
SCHEMBL16604069 0.89 KMT2A (0.39) KMT2AL3MBTL1KDM1AMAOB
SCHEMBL17898805 0.89 KMT2A (0.41) KMT2AL3MBTL1KDM1AMAOBNAAA
SCHEMBL16604078 0.89 KMT2A (0.40) KMT2AL3MBTL1KDM1AMAOB
SCHEMBL16605405 0.87 KMT2A (0.43) KMT2AL3MBTL1KDM1AMAOBNAAA
SCHEMBL16604073 0.87 KMT2A (0.39) KMT2AL3MBTL1KDM1AMAOB
SCHEMBL19628402 0.87 REN (0.37) RENKMT2AL3MBTL1KDM1AMAOB
SCHEMBL16604074 0.86 KMT2A (0.38) KMT2AL3MBTL1KDM1AMAOB
SCHEMBL17898778 0.86 KDM1A (0.39) KMT2AL3MBTL1KDM1AMAOB
SCHEMBL17898761 0.86 KDM1A (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