SCHEMBL7837223

SCHEMBL7837223

CC(C)(C)OC(=O)C(N)C1CN(Cc2ccccc2)C2CCOC12

nearest known ligand 0.38

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ KMT2A Q03164 2/20 0.37
▸ L3MBTL1 Q9Y468 1/20 0.37
▸ MAPT P10636 1/20 0.36
▸ KLK7 P49862 4/20 0.35
▸ KLK5 Q9Y337 3/20 0.35
▸ SIRT2 Q8IXJ6 1/20 0.35
▸ SIRT1 Q96EB6 1/20 0.35
▸ LTA4H P09960 1/20 0.35
▸ GPR119 Q8TDV5 1/20 0.35
▸ PDK1 Q15118 1/20 0.34
▸ PDK2 Q15119 1/20 0.34
▸ PDK3 Q15120 1/20 0.34
▸ PDK4 Q16654 1/20 0.34

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
SCHEMBL7852093 0.80 KMT2A (0.50) KMT2AL3MBTL1MAPTKLK7KLK5
SCHEMBL7852091 0.80 KMT2A (0.50) KMT2AL3MBTL1MAPTKLK7KLK5
SCHEMBL8176595 0.80 KMT2A (0.50) KMT2AL3MBTL1MAPTKLK7KLK5
SCHEMBL8183263 0.78 KMT2A (0.39) KMT2AL3MBTL1MAPTGPR119PDK1
SCHEMBL7852322 0.78 KMT2A (0.39) KMT2AL3MBTL1MAPTGPR119PDK1
SCHEMBL7847732 0.78 KMT2A (0.39) KMT2AL3MBTL1MAPTGPR119PDK1
SCHEMBL7847733 0.78 KMT2A (0.39) KMT2AL3MBTL1MAPTGPR119PDK1
SCHEMBL4640527 0.77 S1PR5 (0.44) KMT2AL3MBTL1LTA4H
SCHEMBL4640541 0.77 S1PR5 (0.44) KMT2AL3MBTL1LTA4H
SCHEMBL4640533 0.77 S1PR5 (0.44) KMT2AL3MBTL1LTA4H

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0911336-B1 PYRIDONECARBOXYLIC ACID DERIVATIVES AND INTERMEDIATES FOR THE SYNTHESIS THEREOF DAINIPPON PHARMACEUTICAL CO (JP) 2001-11-28 — — EP disclosed
US-6017911-A BACTERICIDES DAINIPPON PHARMACEUTICAL CO., LTD. (JP) 2000-01-25 — — US disclosed
EP-0911336-A1 PYRIDONECARBOXYLIC ACID DERIVATIVES AND INTERMEDIATES FOR THE SYNTHESIS THEREOF DAINIPPON PHARMACEUTICAL CO., LTD. (JP) 1999-04-28 — — EP disclosed
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