SCHEMBL12041111

SCHEMBL12041111

CCOC(=O)C(=[N+]=[N-])C(=O)C(C)CC

nearest known ligand 0.34

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
NPSR1 Q6W5P4 1/20 0.32
GLO1 Q04760 1/20 0.32
ALDH1A1 P00352 3/20 0.32
TSHR P16473 1/20 0.32
LMNA P02545 1/20 0.31
HSD17B10 Q99714 1/20 0.31
EGLN1 Q9GZT9 1/20 0.31
ALOX15 P16050 1/20 0.30
MGAM O43451 1/20 0.30
GAA P10253 1/20 0.30
SI P14410 1/20 0.30
MGAM2 Q2M2H8 1/20 0.30
SOAT1 P35610 1/20 0.30
MAPT P10636 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
SCHEMBL19669784 0.85 ALDH1A1 (0.34) NPSR1GLO1ALDH1A1TSHRLMNA
SCHEMBL2204826 0.80 ALDH1A1 (0.43) NPSR1GLO1ALDH1A1TSHRLMNA
SCHEMBL17225470 0.80 BIRC2 (0.31) ALDH1A1
SCHEMBL2253759 0.80 ALDH1A1 (0.33) NPSR1GLO1ALDH1A1TSHRLMNA
SCHEMBL6676758 0.78 ALDH1A1 (0.42) NPSR1GLO1ALDH1A1TSHRLMNA
SCHEMBL1088298 0.78 ALDH1A1 (0.42) NPSR1GLO1ALDH1A1TSHRLMNA
SCHEMBL6674982 0.78 ALDH1A1 (0.42) NPSR1GLO1ALDH1A1TSHRLMNA
SCHEMBL23462063 0.78 MMP8 (0.31) NPSR1GLO1
SCHEMBL29918740 0.78 MMP8 (0.31) NPSR1GLO1
SCHEMBL2262673 0.76 CA1 (0.38) NPSR1GLO1ALDH1A1TSHRMAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2292779-B1 Adeno-associated virus (AAV) clades, sequences, vectors containing same, and uses thereof UNIV PENNSYLVANIA (US) 2016-11-16 EP disclosed
US-20150353991-A1 MIRNA TARGETS CHILDREN'S MEDICAL CENTER CORPORATION 2015-12-10 US disclosed
WO-2014179765-A2 NOVEL HUMAN MIRNAS FOR USE IN DIAGNOSIS, PROGNOSIS AND THERAPY OF HUMAN CONDITIONS AND DISEASES THOMAS JEFFERSON UNIVERSITY (US) 2014-11-06 WO disclosed
US-20110300205-A1 SELF REPLICATING RNA MOLECULES AND USES THEREOF NOVARTIS AG (CH) 2011-12-08 US disclosed
US-7649019-B2 controlled release tablet of bupropion hydrobromide for reducing the ratio of the maximum/minimum plasma bupropion hydrobromide concentration (Cmax/Cmin) while maintaining bupropion plasma levels within the therapeutic window upon administration to a patient; more stable than buproin hcl BIOVAIL LABORATORIES INTERNATIONAL S.R.L. (BB) 2010-01-19 US disclosed