SCHEMBL19084164

SCHEMBL19084164

C[C@@H]1OC(=O)[C@@H](NC(=O)OC(C)(C)C)CCCC[C@H]1CCc1ccccc1

nearest known ligand 0.48

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 1/20 0.44
L3MBTL1 Q9Y468 1/20 0.44
NAAA Q02083 1/20 0.41

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
SCHEMBL17245223 0.88 KMT2A (0.43) KMT2AL3MBTL1NAAA
SCHEMBL17245234 0.87 NAAA (0.42) KMT2AL3MBTL1NAAA
SCHEMBL17245230 0.85 NAAA (0.41) KMT2AL3MBTL1NAAA
SCHEMBL17245244 0.84 NAAA (0.42) KMT2AL3MBTL1NAAA
SCHEMBL19084166 0.84 KMT2A (0.39) KMT2AL3MBTL1NAAA
SCHEMBL17245217 0.83 KMT2A (0.45) KMT2AL3MBTL1NAAA
SCHEMBL17245220 0.83 KMT2A (0.43) KMT2AL3MBTL1NAAA
SCHEMBL17428248 0.82 NAAA (0.40) NAAA
SCHEMBL19084159 0.82 NAAA (0.41) KMT2ANAAA
SCHEMBL17245238 0.82 NAAA (0.43) KMT2AL3MBTL1NAAA

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
WO-2017116956-A1 MACROCYCLIC PICOLINAMIDES AS FUNGICIDES DOW AGROSCIENCES LLC (US) 2017-07-06 WO disclosed