SCHEMBL3816892

SCHEMBL3816892

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

nearest known ligand 0.39

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 1/20 0.39
ADORA2A P29274 3/20 0.38
ADORA2B P29275 3/20 0.38
LMNA P02545 1/20 0.37
CA1 P00915 4/20 0.36
CA2 P00918 4/20 0.36
CA9 Q16790 4/20 0.36
PYGB P11216 1/20 0.35
AKR1B1 P15121 1/20 0.34

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 0.91 CA1 (0.38) CA1CA2CA9PYGBAKR1B1
SCHEMBL3812504 0.86 PYGB (0.40) CA1CA2CA9PYGBAKR1B1
SCHEMBL2510604 0.83 ADORA1 (0.44) CA1CA2CA9AKR1B1
SCHEMBL8329378 0.83 ADORA1 (0.44) CA1CA2CA9AKR1B1
SCHEMBL3816161 0.83 CA1 (0.37) CA1CA2CA9PYGBAKR1B1
SCHEMBL3810831 0.81 CA1 (0.50) CA1CA2CA9PYGBAKR1B1
SCHEMBL6934741 0.81 CA1 (0.50) CA1CA2CA9PYGBAKR1B1
SCHEMBL7253811 0.81 CA1 (0.50) CA1CA2CA9PYGBAKR1B1
SCHEMBL9616492 0.81 CA1 (0.50) CA1CA2CA9PYGBAKR1B1
SCHEMBL18642492 0.81 CA1 (0.50) CA1CA2CA9PYGBAKR1B1

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