SCHEMBL5577804

SCHEMBL5577804

O=C1COC(=O)CN1.O=C1COCCO1

nearest known ligand 0.45

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
GAA P10253 1/20 0.45
ALDH1A1 P00352 1/20 0.31
AKR1C3 P42330 1/20 0.31
AKR1C2 P52895 1/20 0.31
AKR1C1 Q04828 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
SCHEMBL34416 0.83
SCHEMBL21552154 0.83 GAA (0.37) GAAALDH1A1AKR1C3AKR1C2AKR1C1
SCHEMBL4394616 0.78
SCHEMBL29008 0.78
SCHEMBL1933520 0.78 LMNA (0.42) GAAALDH1A1
SCHEMBL278292 0.78 LMNA (0.42) GAAALDH1A1
Dioxane SCHEMBL6669275 0.76 GAA (0.44) GAAALDH1A1
SCHEMBL6121060 0.76 GAA (0.44) GAAALDH1A1
Methane SCHEMBL29072799 0.76
SCHEMBL7200305 0.76 GAA (0.44) GAAALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20150025009-A1 COLLAGEN AND FIBRIN MICROTHREADS IN A DISCRETE THREAD MODEL OF IN VITRO ACL SCAFFOLD REGENERATION WORCESTER POLYTECHNIC INSTITUTE 2015-01-22 US disclosed
US-20070148246-A1 Nucleic Acid-Based Matrixes CORNELL RESEARCH FOUNDATION INC. 2007-06-28 US disclosed