SCHEMBL7296969

SCHEMBL7296969

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

nearest known ligand 0.43

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
PLA2G10 O15496 2/20 0.43
PLA2G5 P39877 2/20 0.43
PKM P14618 2/20 0.40
GAA P10253 1/20 0.40
BRD4 O60885 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.33
POLB P06746 1/20 0.33
KDM4E B2RXH2 1/20 0.33
HTT P42858 1/20 0.33
ABCG2 Q9UNQ0 1/20 0.32
KMT2A Q03164 1/20 0.31
MMP1 P03956 2/20 0.31
MMP3 P08254 2/20 0.31
RAMP1 O60894 1/20 0.31
CALCRL Q16602 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
SCHEMBL7296978 1.00 PLA2G10 (0.43) PLA2G10PLA2G5PKMGAABRD4
Oxalic Acid SCHEMBL7298195 0.96 PLA2G10 (0.41) PLA2G10PLA2G5PKMGAABRD4
Oxalic Acid SCHEMBL7298168 0.96 PLA2G10 (0.41) PLA2G10PLA2G5PKMGAABRD4
SCHEMBL7278907 0.94 PLA2G10 (0.45) PLA2G10PLA2G5PKMGAAPOLB
Hydrochloric Acid SCHEMBL7278550 0.92 PLA2G10 (0.44) PLA2G10PLA2G5PKMGAAPOLB
SCHEMBL7366324 0.90 PKM (0.44) PKMGAABRD4L3MBTL1KDM4E
SCHEMBL7366326 0.90 PKM (0.44) PKMGAABRD4L3MBTL1KDM4E
SCHEMBL7314096 0.88 PLA2G10 (0.41) PLA2G10PLA2G5PKMGAAPOLB
SCHEMBL7311432 0.84 PKM (0.45) PKMGAABRD4L3MBTL1KDM4E
SCHEMBL7311444 0.84 PKM (0.45) PKMGAABRD4L3MBTL1KDM4E

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 7 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
US-6204268-B1 CYCLIC DIAZA COMPOUNDS COR THERAPEUTICS, INC 2001-03-20 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