SCHEMBL361538

SCHEMBL361538

C=C/C=C(\C=C/N)C(C)=O

nearest known ligand 0.32

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.32

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
SCHEMBL13786730 0.79 ALDH1A1 (0.33) ALDH1A1
SCHEMBL18673137 0.79 ALDH1A1 (0.33) ALDH1A1
SCHEMBL13618856 0.79 ALDH1A1 (0.33) ALDH1A1
SCHEMBL24222481 0.77
SCHEMBL14507573 0.77
SCHEMBL13667747 0.77 ALDH1A1 (0.33) ALDH1A1
SCHEMBL17643537 0.75
SCHEMBL12516261 0.74
SCHEMBL13875736 0.74
SCHEMBL14292189 0.72 HTT (0.35)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1501467-B1 HETEROCYCLO INHIBITORS OF POTASSIUM CHANNEL FUNCTION BRISTOL MYERS SQUIBB CO (US) 2012-05-09 EP disclosed
EP-2013211-B1 PURINE DERIVATIVES FOR USE AS ADENOSIN A2A RECEPTOR AGONISTS NOVARTIS AG (CH) 2012-03-14 EP disclosed
WO-2009135700-A1 BLEACHING AGENT HAVING CATIONIC ACYL PYRIDINIUM DERIVATIVES, CO-BLEACHING ACTIVATORS, AND HYDROGEN PEROXIDE HENKEL AG & CO. KGAA (DE) 2009-11-12 WO disclosed
WO-2005120515-A2 NOVEL SULFONAMIDES AS INHIBITORS OF HISTONE DEACETYLASE FOR THE TREATMENT OF DISEASE KALYPSYS, INC. (US) 2005-12-22 WO disclosed