SCHEMBL7311432

SCHEMBL7311432

COC(=O)C[C@@H]1NCCN(CC(=O)O)C1=O

nearest known ligand 0.45

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
PKM P14618 2/20 0.45
GAA P10253 1/20 0.45
ITGB3 P05106 6/20 0.41
ITGA2B P08514 6/20 0.41
ACE P12821 4/20 0.39
L3MBTL1 Q9Y468 1/20 0.36
BRD4 O60885 1/20 0.35
KDM4E B2RXH2 1/20 0.35
LMNA P02545 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
SCHEMBL7311444 1.00 PKM (0.45) PKMGAAITGB3ITGA2BACE
SCHEMBL7366324 0.92 PKM (0.44) PKMGAAITGB3ITGA2BL3MBTL1
SCHEMBL7366326 0.92 PKM (0.44) PKMGAAITGB3ITGA2BL3MBTL1
SCHEMBL7296978 0.84 PLA2G10 (0.43) PKMGAAL3MBTL1BRD4KDM4E
SCHEMBL7296969 0.84 PLA2G10 (0.43) PKMGAAL3MBTL1BRD4KDM4E
Oxalic Acid SCHEMBL7298195 0.84 PLA2G10 (0.41) PKMGAAITGB3ITGA2BL3MBTL1
Oxalic Acid SCHEMBL7298168 0.84 PLA2G10 (0.41) PKMGAAITGB3ITGA2BL3MBTL1
SCHEMBL27381852 0.81 PKM (0.45) PKMGAAITGB3ITGA2BACE
Hydrochloric Acid SCHEMBL7277753 0.80 PKM (0.44) PKMGAAITGB3ITGA2BACE
Hydrochloric Acid SCHEMBL7277734 0.80 PKM (0.44) PKMGAAITGB3ITGA2BACE

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6242600-B1 ANTIISCHEMIC AGENTS, ANTICOAGULANTS TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 2001-06-05 US disclosed
EP-0970071-A1 2-PEPERAZINONE-1-ACETIC ACID DERIVATIVES AND THEIR USE Takeda Chemical Industries, Ltd. (JP) 2000-01-12 EP disclosed
EP-0643072-B1 2-Piperazinone compounds and their use TAKEDA CHEMICAL INDUSTRIES LTD (JP) 1999-02-24 EP disclosed
WO-1998039324-A1 2-PEPERAZINONE-1-ACETIC ACID DERIVATIVES AND THEIR USE TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1998-09-11 WO disclosed
US-5550131-A ANTITHROMBOTIC AGENT TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1996-08-27 US disclosed
EP-0643072-A1 2-Piperazinone compounds and their use Takeda Chemical Industries, Ltd. (JP) 1995-03-15 EP disclosed