SCHEMBL4259229

SCHEMBL4259229

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

nearest known ligand 0.62

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.62
MEN1 O00255 1/20 0.58
LMNA P02545 1/20 0.58
KMT2A Q03164 1/20 0.58
MAPT P10636 1/20 0.55
FOLH1 Q04609 3/20 0.51
MME P08473 6/20 0.51
LAP3 P28838 3/20 0.49
NAALAD2 Q9Y3Q0 1/20 0.47

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
SCHEMBL4833512 1.00 ALDH1A1 (0.62) ALDH1A1MEN1LMNAKMT2AMAPT
SCHEMBL31285799 0.89 ALDH1A1 (0.58) ALDH1A1MEN1LMNAKMT2AMAPT
SCHEMBL6010356 0.89 ALDH1A1 (0.58) ALDH1A1MEN1LMNAKMT2AMAPT
SCHEMBL28707844 0.89 ALDH1A1 (0.58) ALDH1A1MEN1LMNAKMT2AMAPT
SCHEMBL11421008 0.87 ALDH1A1 (0.56) ALDH1A1MEN1LMNAKMT2AMAPT
SCHEMBL11421004 0.87 ALDH1A1 (0.56) ALDH1A1MEN1LMNAKMT2AMAPT
SCHEMBL4572627 0.86 ALDH1A1 (0.64) ALDH1A1MEN1LMNAKMT2AMAPT
SCHEMBL29851595 0.86 ALDH1A1 (0.64) ALDH1A1MEN1LMNAKMT2AMAPT
SCHEMBL6374251 0.86 ALDH1A1 (0.64) ALDH1A1MEN1LMNAKMT2AMAPT
SCHEMBL14254618 0.85 ALDH1A1 (0.55) ALDH1A1MEN1LMNAKMT2AMAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090081274-A1 MAST CELL-DERIVED RENIN CORNELL RESEARCH FOUNDATION, INC. (US) 2009-03-26 US disclosed
US-20080032918-A1 Gene expression or biosynthesis inhibition by locally administering inhibitors of angiotensin-converting enzyme, angiotensin type 1 receptors, or sodium-hydrogen exchange type-1 proteins; antiinflammatory agents, myocardial antiischemic agents, anaphylaxis; sustained release implants, stents, inhalers CORNELL RESEARCH FOUNDATION, INC. 2008-02-07 US disclosed
EP-1636196-A1 NOVEL LACTAMS AND USES THEREOF AstraZeneca AB (SE) 2006-03-22 EP disclosed
US-20050209141-A1 Mast cell-derived renin NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2005-09-22 US disclosed
WO-2005037317-A2 MAST CELL-DERIVED RENIN CORNELL RESEARCH FOUNDATION, INC. (US) 2005-04-28 WO disclosed
WO-2004080983-A1 NOVEL LACTAMS AND USES THEREOF ASTRAZENECA AB (SE) 2004-09-23 WO disclosed
EP-0243477-A1 RENIN INHIBITORS AND METHODS FOR USING SAME SCHERING CORPORATION (US) 1987-11-04 EP disclosed
WO-1987002581-A1 RENIN INHIBITORS AND METHODS FOR USING SAME SCHERING CORPORATION (US) 1987-05-07 WO disclosed