SCHEMBL8580311

SCHEMBL8580311

CCC(CC)(C(=O)O)C(=O)ONC=O

nearest known ligand 0.32

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
PKM P14618 1/20 0.32

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
SCHEMBL16989821 0.78 PTPN1 (0.30)
SCHEMBL221073 0.77 PTPN1 (0.40)
SCHEMBL2572353 0.75
SCHEMBL1443640 0.74 PKM (0.32) PKM
SCHEMBL16989815 0.70
SCHEMBL10831561 0.70 MEN1 (0.31)
SCHEMBL876236 0.69 MEN1 (0.32)
SCHEMBL14861290 0.69 CTSK (0.38)
SCHEMBL456197 0.69 MEN1 (0.48) PKM
SCHEMBL1500317 0.69 MEN1 (0.30)

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
WO-1998009973-A9 BORON-CONTAINING AMINO CARBOXYLIC ACID COMPOUNDS AND USES THEREOF 1998-07-30 WO disclosed
WO-1998009973-A1 BORON-CONTAINING AMINO CARBOXYLIC ACID COMPOUNDS AND USES THEREOF THE UNIVERSITY OF TENNESSEE RESEARCH CORPORATION (US) 1998-03-12 WO disclosed
EP-0364996-A2 Phosphono-hydroisoquinoline compounds useful in reducing neurotoxic injury G.D. Searle & Co. (US) 1990-04-25 EP disclosed