SCHEMBL3816161

SCHEMBL3816161

CCO[C@H]1[C@@H](O)[C@H](NC(=O)c2nc[nH]c2N)O[C@@H]1CO

nearest known ligand 0.37

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
CA1 P00915 5/20 0.37
CA2 P00918 5/20 0.37
CA9 Q16790 5/20 0.37
AKR1B1 P15121 1/20 0.37
PYGB P11216 3/20 0.36
GAA P10253 1/20 0.36
ALDH1A1 P00352 1/20 0.36

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
SCHEMBL3812993 0.93 CA1 (0.38) CA1CA2CA9AKR1B1PYGB
SCHEMBL3814606 0.90 PYGB (0.40) CA1CA2CA9AKR1B1PYGB
SCHEMBL7253811 0.85 CA1 (0.50) CA1CA2CA9AKR1B1PYGB
SCHEMBL9616492 0.85 CA1 (0.50) CA1CA2CA9AKR1B1PYGB
SCHEMBL6934741 0.85 CA1 (0.50) CA1CA2CA9AKR1B1PYGB
SCHEMBL3810831 0.85 CA1 (0.50) CA1CA2CA9AKR1B1PYGB
SCHEMBL18642492 0.85 CA1 (0.50) CA1CA2CA9AKR1B1PYGB
SCHEMBL3812504 0.83 PYGB (0.40) CA1CA2CA9AKR1B1PYGB
SCHEMBL3816892 0.83 MAPK1 (0.39) CA1CA2CA9AKR1B1PYGB
SCHEMBL8329378 0.80 ADORA1 (0.44) CA1CA2CA9AKR1B1

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
EP-1863497-A4 METHODS, COMPOSITIONS, AND FORMULATIONS FOR PREVENTING OR REDUCING ADVERSE EFFECTS IN A PATIENT PERICOR THERAPEUTICS INC (US) 2009-08-12 EP disclosed
EP-1863497-A2 METHODS, COMPOSITIONS, AND FORMULATIONS FOR PREVENTING OR REDUCING ADVERSE EFFECTS IN A PATIENT Pericor Therapeutics, Inc. (US) 2007-12-12 EP disclosed
WO-2006105167-A2 METHODS, COMPOSITIONS, AND FORMULATIONS FOR PREVENTING OR REDUCING ADVERSE EFFECTS IN A PATIENT PERICOR THERAPEUTICS, INC. (US) 2006-10-05 WO disclosed