SCHEMBL3365403

SCHEMBL3365403

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

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.55
CTSL P07711 5/20 0.39
MMP1 P03956 1/20 0.39
MMP9 P14780 3/20 0.39
MMP8 P22894 3/20 0.39
MMP2 P08253 2/20 0.39
CPA1 P15085 3/20 0.38
CPA2 P48052 3/20 0.38
CPA4 Q9UI42 3/20 0.38
CPB1 P15086 1/20 0.38
ACE2 Q9BYF1 1/20 0.38
CTSS P25774 6/20 0.38
CTSK P43235 3/20 0.36
CTSB P07858 2/20 0.36
MEN1 O00255 1/20 0.36
LMNA P02545 1/20 0.36
KMT2A Q03164 1/20 0.36
MMP14 P50281 1/20 0.35
KDM4E B2RXH2 1/20 0.35
MAPT P10636 1/20 0.35

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
SCHEMBL3834367 1.00 ALDH1A1 (0.55) ALDH1A1CTSLMMP1MMP9MMP8
SCHEMBL1006669 0.85 ALDH1A1 (0.50) ALDH1A1MMP1MEN1LMNAKMT2A
SCHEMBL1006670 0.85 ALDH1A1 (0.50) ALDH1A1MMP1MEN1LMNAKMT2A
SCHEMBL14283754 0.85 ALDH1A1 (0.53) ALDH1A1CTSLCTSSCTSKCTSB
SCHEMBL9114022 0.84 CTSB (0.50) ALDH1A1CTSSCTSKCTSB
SCHEMBL15539031 0.84 CTSS (0.49) ALDH1A1CTSLMMP1MMP9MMP8
SCHEMBL3923432 0.82 CTSB (0.49) ALDH1A1CTSSCTSKCTSB
SCHEMBL2184616 0.82 MMP2 (0.39) ALDH1A1CTSLMMP9MMP8MMP2
SCHEMBL27589724 0.82 MMP9 (0.39) ALDH1A1CTSLMMP9MMP8MMP2
SCHEMBL28082201 0.82 MMP2 (0.39) ALDH1A1CTSLMMP9MMP8MMP2

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 22 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2010034128-A1 SPY1A AS A DIAGNOSTIC AND PROGNOSTIC MARKER OF CANCER UNIVERSITY OF WINDSOR (CA) 2010-04-01 WO disclosed
EP-2131866-A2 DUAL ACTING PRODRUGS KTB Tumorforschungsgesellschaft mbH (DE) 2009-12-16 EP disclosed
CN-101472899-A 2-substituted 4-benzylphthalazinone derivatives as histamine H1 and H3 antagonists GLAXO GROUP LTD (GB) 2009-07-01 CN disclosed
WO-2009040816-A1 METHODS OF TREATING LYSOSOMAL STORAGE DISORDERS RAMOT AT TEL AVIV UNIVERSITY LTD. (IL) 2009-04-02 WO disclosed
WO-2008098789-A2 DUAL ACTING PRODRUGS KTB TUMORFORSCHUNGSGESELLSCHAFT MBH (DE) 2008-08-21 WO disclosed
CN-100400523-C Substituted piperazines, (1,4) diaza * class and 2, 5-diazabicyclo (2.2.1) heptanes as histamine H1 and/or H3 antagonists or histamine H3 reverse antagonists GLAXO GROUP LTD (GB) 2008-07-09 CN disclosed
CN-101070309-A Substituted piperazines as histamine H1 and/or H3 antagonists or histamine H3 reverse antagonists, (1, 4) diazabi and 2, 5-diazabicyclo (2.2.1) heptanes GLAXO GROUP LTD (GB) 2007-11-14 CN disclosed
EP-1831352-A2 CELL LINES FOR PRODUCTION OF REPLICATION-DEFECTIVE ADENOVIRUS CANJI, Inc. (US) 2007-09-12 EP disclosed
US-7211424-B1 Mammalian Subtilisin/kexin isozyme SKI-1: a proprotein convertase with a unique cleavage specificity INSTITUT DE RECHERCHES CLINIQUES DE MONTREAL (CA) 2007-05-01 US disclosed
WO-2006065827-A9 CELL LINES FOR PRODUCTION OF REPLICATION-DEFECTIVE ADENOVIRUS CANJI INC (US) 2006-08-24 WO disclosed
WO-2005118580-A2 TRICYCLIC COMPOUNDS AS INHIBITORS OF THE HYPOXIC SIGNALING PATHWAY THE GOVERNMENT OF THE UNITED STATES OF AMERICA AS REPRESENTED BY THE SECRETARY, DEPARTMENT OF HEALTH (US) 2005-12-15 WO disclosed
WO-2005115429-A1 METHODS AND KITS FOR DIAGNOSING AND/OR ASSESSING SEVERITY AND TREATING GAUCHER DISEASE RAMOT AT TEL AVIV UNIVERSITY LTD. (IL) 2005-12-08 WO disclosed
EP-1390497-A2 HUMAN CDNAS AND PROTEINS AND USES THEREOF Genset (FR) 2004-02-25 EP disclosed
WO-2002101012-A9 REGULATION OF TRANSGENE EXPRESSION FOLLOWING AAV TRANSDUCTION CHILDREN S HOSPITAL RES FOUNDA (US) 2003-12-18 WO disclosed
WO-2002101012-A2 REGULATION OF TRANSGENE EXPRESSION FOLLOWING AAV TRANSDUCTION CHILDREN'S HOSPITAL RESEARCH FOUNDATION (US) 2002-12-19 WO disclosed
WO-2002094864-A2 HUMAN CDNAS AND PROTEINS AND USES THEREOF GENSET S.A. (FR) 2002-11-28 WO disclosed
WO-2002020545-A1 ANTISENSE MODULATION OF A20 EXPRESSION ISIS PHARMACEUTICALS, INC. (US) 2002-03-14 WO disclosed
EP-1129181-A2 MAMMALIAN SUBTILISIN/KEXIN ISOZYME SKI-1: A PROPROTEIN CONVERTASE WITH A UNIQUE CLEAVAGE SPECIFICITY INSTITUT DE RECHERCHES CLINIQUES DE MONTREAL (CA) 2001-09-05 EP disclosed
WO-2000026348-A2 MAMMALIAN SUBTILISIN/KEXIN ISOZYME SKI-1: A PROPROTEIN CONVERTASE WITH A UNIQUE CLEAVAGE SPECIFICITY INSTITUT DE RECHERCHES CLINIQUES DE MONTREAL (CA) 2000-05-11 WO disclosed
EP-0800528-A1 PEPTIDE AND PEPTIDE ANALOG PROTEASE INHIBITORS Sibia Neurosciences, Inc. (US) 1997-10-15 EP disclosed