SCHEMBL3812504

SCHEMBL3812504

CO[C@@H]1[C@H](O)[C@@H](CO)O[C@H]1NC(=O)c1nc[nH]c1N

nearest known ligand 0.41

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
PYGB P11216 1/20 0.40
CA1 P00915 5/20 0.38
CA2 P00918 5/20 0.38
CA9 Q16790 5/20 0.38
AKR1B1 P15121 1/20 0.37
LGALS8 O00214 1/20 0.36
FGF1 P05230 1/20 0.36
FGF2 P09038 1/20 0.36
VEGFA P15692 1/20 0.36
HPSE Q9Y251 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
SCHEMBL3814606 0.91 PYGB (0.40) PYGBCA1CA2CA9AKR1B1
SCHEMBL3812993 0.89 CA1 (0.38) PYGBCA1CA2CA9AKR1B1
SCHEMBL2510604 0.88 ADORA1 (0.44) CA1CA2CA9AKR1B1FGF1
SCHEMBL8329378 0.88 ADORA1 (0.44) CA1CA2CA9AKR1B1FGF1
SCHEMBL3816892 0.86 MAPK1 (0.39) PYGBCA1CA2CA9AKR1B1
SCHEMBL3810831 0.86 CA1 (0.50) PYGBCA1CA2CA9AKR1B1
SCHEMBL18642492 0.86 CA1 (0.50) PYGBCA1CA2CA9AKR1B1
SCHEMBL9616492 0.86 CA1 (0.50) PYGBCA1CA2CA9AKR1B1
SCHEMBL6934741 0.86 CA1 (0.50) PYGBCA1CA2CA9AKR1B1
SCHEMBL7253811 0.86 CA1 (0.50) PYGBCA1CA2CA9AKR1B1

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