SCHEMBL7737367

SCHEMBL7737367

CC(C)(C)OC(=O)C(c1ccccc1)[C@@H](N)[C@H](O)C(=O)O

nearest known ligand 0.45

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 1/20 0.45
CYP2D6 P10635 1/20 0.43
ATM Q13315 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
LMNA P02545 3/20 0.38
HIF1A Q16665 1/20 0.38
KDM4E B2RXH2 1/20 0.38
AOC3 Q16853 1/20 0.38
LTA4H P09960 1/20 0.38
MAPK1 P28482 1/20 0.38
SLC7A5 Q01650 1/20 0.37
AAK1 Q2M2I8 1/20 0.36
CTSS P25774 1/20 0.36
CTSK P43235 1/20 0.36
CYP3A4 P08684 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
SCHEMBL7088204 0.92 KMT2A (0.49) KMT2ACYP2D6ATML3MBTL1LMNA
SCHEMBL6813755 0.90 KMT2A (0.53) KMT2ACYP2D6ATML3MBTL1LMNA
SCHEMBL6702668 0.84 KMT2A (0.47) KMT2ACYP2D6ATML3MBTL1LTA4H
SCHEMBL6647558 0.84 KMT2A (0.47) KMT2ACYP2D6ATML3MBTL1LTA4H
SCHEMBL27598805 0.84 KMT2A (0.47) KMT2ACYP2D6ATML3MBTL1LTA4H
SCHEMBL11027683 0.83 KMT2A (0.41) KMT2ACYP2D6ATML3MBTL1AOC3
SCHEMBL28874131 0.83 KMT2A (0.41) KMT2ACYP2D6ATML3MBTL1LMNA
SCHEMBL24851748 0.82 KMT2A (0.52) KMT2ACYP2D6ATML3MBTL1AOC3
SCHEMBL1919826 0.81 CYP2D6 (0.50) KMT2ACYP2D6ATML3MBTL1AOC3
SCHEMBL8023362 0.81 KMT2A (0.50) KMT2ACYP2D6ATML3MBTL1LMNA

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-0835123-A4 AMINOPEPTIDASE P INHIBITORS AND USES THEREOF UNIV LOYOLA CHICAGO (US) 2001-05-16 EP disclosed
EP-0835123-A1 AMINOPEPTIDASE P INHIBITORS AND USES THEREOF LOYOLA UNIVERSITY OF CHICAGO (US) 1998-04-15 EP disclosed
WO-1996039163-A1 AMINOPEPTIDASE P INHIBITORS AND USES THEREOF LOYOLA UNIVERSITY OF CHICAGO (US) 1996-12-12 WO disclosed