SCHEMBL5497458

SCHEMBL5497458

N=C(N)NCCCCCC[C]=O

nearest known ligand 0.50

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 2/20 0.50
MEN1 O00255 2/20 0.50
KMT2A Q03164 2/20 0.50
CYP1A2 P05177 1/20 0.50
ALOX15 P16050 1/20 0.46
ALB P02768 1/20 0.36
SPHK1 Q9NYA1 3/20 0.33
HIF1A Q16665 2/20 0.33
KDM4E B2RXH2 1/20 0.33
MAPK1 P28482 1/20 0.33
PAOX Q6QHF9 2/20 0.32
ALDH1A1 P00352 2/20 0.32
TSHR P16473 1/20 0.32
EPHX2 P34913 1/20 0.31
EPHX1 P07099 2/20 0.30
ALDH1A2 O94788 1/20 0.30
ALDH2 P05091 1/20 0.30
ALDH1A3 P47895 1/20 0.30

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
SCHEMBL1774552 1.00 SMN1; SMN2 (0.50) SMN1; SMN2MEN1KMT2ACYP1A2ALOX15
SCHEMBL7283594 1.00 SMN1; SMN2 (0.50) SMN1; SMN2MEN1KMT2ACYP1A2ALOX15
SCHEMBL7435955 1.00 SMN1; SMN2 (0.50) SMN1; SMN2MEN1KMT2ACYP1A2ALOX15
SCHEMBL2905696 0.98 ALOX15 (0.47) SMN1; SMN2MEN1KMT2ACYP1A2ALOX15
SCHEMBL1775038 0.91
SCHEMBL1521786 0.83 DPP7 (0.49) SMN1; SMN2MEN1KMT2ACYP1A2ALDH1A1
SCHEMBL1521224 0.83 DPP7 (0.49) SMN1; SMN2MEN1KMT2ACYP1A2ALDH1A1
SCHEMBL2906945 0.82
SCHEMBL3069140 0.82 SMN1; SMN2 (0.67) SMN1; SMN2MEN1KMT2ACYP1A2ALOX15
SCHEMBL1923256 0.82 SMN1; SMN2 (0.67) SMN1; SMN2MEN1KMT2ACYP1A2ALOX15

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20070141074-A1 Agents for the inhibition of virus replication through regulation of protein folding VIROLOGIK GMBH (DE) 2007-06-21 US disclosed
US-5985824-A Methods and compositions for treating cystic fibrosis GENZYME CORPORATION (US) 1999-11-16 US disclosed
WO-1998037878-A9 METHODS AND COMPOSITIONS FOR TREATING CYSTIC FIBROSIS 1999-02-11 WO disclosed
US-5834421-A Methods and compositions for treating cystic fibrosis GENZYME CORPORATION (US) 1998-11-10 US disclosed
WO-1998037878-A1 METHODS AND COMPOSITIONS FOR TREATING CYSTIC FIBROSIS GENZYME CORPORATION (US) 1998-09-03 WO disclosed
US-5401722-A Peptide analogues MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) 1995-03-28 US disclosed
US-5378691-A Amino acid derivatives MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) 1995-01-03 US disclosed
US-5328916-A Renin inhibitors, hypotensive agents MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) 1994-07-12 US disclosed
US-5147857-A Enzyme inhibitors MERCK PATENT GESELLSCHAFT MIT BESCHRAENKTER HAFTUNG (DE) 1992-09-15 US disclosed
EP-0501280-A2 Renin-inhibiting peptide analogues MERCK PATENT GmbH (DE) 1992-09-02 EP disclosed
EP-0446485-A2 Peptide analogues with renininhibiting activity MERCK PATENT GmbH (DE) 1991-09-18 EP disclosed
EP-0446751-A1 Glycolic acid derivatives MERCK PATENT GmbH (DE) 1991-09-18 EP disclosed
EP-0418696-A2 Derivatives of aminoacids MERCK PATENT GmbH (DE) 1991-03-27 EP disclosed
US-4956504-A IMMUNOMODULATORS, ANTIBIOTICS ZAIDAN HOJIN BISEIBUTSU KAGAKU KENKYU KAI (JP) 1990-09-11 US disclosed
CN-1037155-A Amino acid derivative MERCK PATENT GMBH (DE) 1989-11-15 CN disclosed
EP-0339483-A2 Renin inhbiting amino-acid derivatives MERCK PATENT GmbH (DE) 1989-11-02 EP disclosed
EP-0337334-A2 Renin-inhibiting amino acid derivatives MERCK PATENT GmbH (DE) 1989-10-18 EP disclosed
EP-0105193-B1 SPERGUALIN-RELATED COMPOUNDS, PROCESSES FOR THE PREPARATION THEREOF AND THEIR USE AS MEDICAMENTS MICROBIAL CHEMISTRY RESEARCH FOUNDATION (JP) 1988-08-24 EP disclosed
EP-0241797-A2 Novel spergualin-related compounds and process for producing the same MICROBIAL CHEMISTRY RESEARCH FOUNDATION (JP) 1987-10-21 EP disclosed
EP-0105193-A2 Spergualin-related compounds, processes for the preparation thereof and their use as medicaments MICROBIAL CHEMISTRY RESEARCH FOUNDATION (JP) 1984-04-11 EP disclosed