SCHEMBL7989547

SCHEMBL7989547

C=CCCCN(C)C(=O)[C@@H](NC(=O)O)C(C)(C)C

nearest known ligand 0.43

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
PDF Q9HBH1 7/20 0.43
ALDH1A1 P00352 1/20 0.31
LMNA P02545 1/20 0.31
ABCC4 O15439 1/20 0.31
MAPT P10636 1/20 0.31

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
SCHEMBL7990024 0.82 PDF (0.58) PDF
SCHEMBL7975796 0.81 ALDH1A1 (0.32) PDFALDH1A1LMNAABCC4MAPT
SCHEMBL7986213 0.81 ALDH1A1 (0.33) ALDH1A1LMNAABCC4MAPT
SCHEMBL731079 0.80 PDF (0.38) PDFALDH1A1LMNAABCC4MAPT
SCHEMBL7990041 0.77 ALDH1A1 (0.34) PDFALDH1A1LMNAABCC4MAPT
SCHEMBL7990402 0.76 PSEN1 (0.37) ALDH1A1LMNAMAPT
SCHEMBL7990404 0.76 PSEN1 (0.37) ALDH1A1LMNAMAPT
SCHEMBL4530365 0.76 PDF (0.37) PDFALDH1A1LMNAABCC4MAPT
SCHEMBL7986296 0.76 DPP4 (0.49) PDFALDH1A1LMNAABCC4MAPT
SCHEMBL7986301 0.76 DPP4 (0.49) PDFALDH1A1LMNAABCC4MAPT

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
US-6313164-B1 TO ENHANCE THE ACTIVITY OF GLUTATHIONE RECLUCTASE; FOR THERAPY AND PROPHYLAXIS OF CARTARACTS SANKYO COMPANY, LIMITED (JP) 2001-11-06 US disclosed
WO-2001040198-A2 MACROCYCLIC HYDROXAMIC ACID DERIVATIVES AND THEIR USE AS ANTIMICROBIAL AGENTS AVENTIS PHARMA S.A. (FR) 2001-06-07 WO disclosed
US-6013663-A CATARACT THERAPY OR PREVENTION SANKYO COMPANY, LIMITED (JP) 2000-01-11 US disclosed