SCHEMBL8185508

SCHEMBL8185508

CC(C)(C)OC(=O)N[C@@H]1CN(Cc2ccccc2)[C@@H]2CCCO[C@@H]21

nearest known ligand 0.52

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.52
L3MBTL1 Q9Y468 1/20 0.52
KLK5 Q9Y337 3/20 0.40
KLK7 P49862 2/20 0.40
PDE4B Q07343 1/20 0.40
KDM1A O60341 1/20 0.39
MAOB P27338 1/20 0.39
ACE P12821 1/20 0.38
ALDH1A1 P00352 1/20 0.37
KCNA3 P22001 1/20 0.37
BCHE P06276 1/20 0.37
HTR6 P50406 1/20 0.37
MAPT P10636 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
SCHEMBL7853125 1.00 KMT2A (0.52) KMT2AL3MBTL1KLK5KLK7PDE4B
SCHEMBL8177515 1.00 KMT2A (0.52) KMT2AL3MBTL1KLK5KLK7PDE4B
SCHEMBL7852771 1.00 KMT2A (0.52) KMT2AL3MBTL1KLK5KLK7PDE4B
SCHEMBL7852770 1.00 KMT2A (0.52) KMT2AL3MBTL1KLK5KLK7PDE4B
SCHEMBL7852093 0.95 KMT2A (0.50) KMT2AL3MBTL1KLK5KLK7PDE4B
SCHEMBL8176595 0.95 KMT2A (0.50) KMT2AL3MBTL1KLK5KLK7PDE4B
SCHEMBL7852091 0.95 KMT2A (0.50) KMT2AL3MBTL1KLK5KLK7PDE4B
SCHEMBL8175401 0.82 KMT2A (0.49) KMT2AL3MBTL1KLK5KLK7PDE4B
SCHEMBL7847123 0.82 KMT2A (0.49) KMT2AL3MBTL1KLK5KLK7PDE4B
SCHEMBL7848409 0.82 KMT2A (0.49) KMT2AL3MBTL1KLK5KLK7PDE4B

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
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