SCHEMBL7513665

SCHEMBL7513665

CCOC(CCCN1C(=O)C=CC1=O)OCC

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MGLL Q99685 9/20 0.52
FAAH O00519 5/20 0.52
PTGS1 P23219 7/20 0.52
PTGS2 P35354 7/20 0.52
ALDH1A1 P00352 3/20 0.50
LMNA P02545 2/20 0.50
MAPT P10636 2/20 0.50
NPSR1 Q6W5P4 2/20 0.50
HPGD P15428 2/20 0.50
HSP90AA1 P07900 1/20 0.50
TLR9 Q9NR96 1/20 0.50
TP53 P04637 1/20 0.50
PKM P14618 1/20 0.50
XBP1 P17861 1/20 0.50
MAPK1 P28482 1/20 0.50
HTT P42858 1/20 0.50
RECQL P46063 1/20 0.50
RAB9A P51151 1/20 0.50
SMN1; SMN2 Q16637 1/20 0.50
GPR35 Q9HC97 1/20 0.50

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
SCHEMBL13985984 0.86 MGLL (0.53) MGLLFAAHPTGS1PTGS2ALDH1A1
SCHEMBL13985874 0.80 MGLL (0.46) MGLLFAAHPTGS1PTGS2ALDH1A1
SCHEMBL7961062 0.79 PKM (0.39) ALDH1A1PKM
SCHEMBL4593870 0.77 MGLL (0.48) MGLLFAAHPTGS1PTGS2ALDH1A1
SCHEMBL30566000 0.77 MAPT (0.50) MAPTRAB9ASMN1; SMN2CYP1A2CYP2C19
SCHEMBL560256 0.77 MAPT (0.50) MAPTRAB9ASMN1; SMN2CYP1A2CYP2C19
SCHEMBL15461749 0.77 MGLL (0.46) MGLLFAAHPTGS1PTGS2ALDH1A1
SCHEMBL3482198 0.75 MGLL (0.62) MGLLFAAHPTGS1PTGS2ALDH1A1
SCHEMBL10353023 0.73 MGLL (0.54) MGLLFAAHPTGS1PTGS2ALDH1A1
SCHEMBL1535468 0.73 MGLL (0.54) MGLLFAAHPTGS1PTGS2ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0817789-B1 BIS-MALEIMIDO CROSS-LINKING AGENTS ROCHE DIAGNOSTICS CORP (US) 2002-01-02 EP disclosed
US-5976857-A ENZYME DONOR POLYPEPTIDE WITH TWO CYSTEINES LINKED BY DISULFIDE BOND WHICH PREVENTS POLYPEPTIDE FORMING AN ACTIVE ENZYME COMPLEX AND HAS INSERTED RECOGNITION SITE FOR SPECIFIC ENZYME THAT WHEN CLEAVED ALLOWS COMPLEMENTATION BOEHRINGER MANNHEIM CORPORATION (US) 1999-11-02 US disclosed
US-5976783-A CROSSLINKING AGENT WITH ENZYME CLEAVABLE PORTION FOR CYCLIZATION/DEACTIVATION OF PROTEIN OR ENZYME; FOR ANALYSIS OF SPECIFIC ENYZME IN SAMPLE BY DETERMINING CLEAVAGE OF AGENT BOEHRINGER MANNHEIM CORPORATION (US) 1999-11-02 US disclosed
WO-1999006072-A1 CYCLIZED PRODRUGS BOEHRINGER MANNHEIM CORPORATION (US) 1999-02-11 WO disclosed
WO-1999006537-A1 CROSS-LINKED POLYPEPTIDE ASSAY COMPONENTS BOEHRINGER MANNHEIM CORPORATION (US) 1999-02-11 WO disclosed
US-5763196-A CONTACTING SAMPLE WITH CROSSLINKED ENZYME DONOR POLYPEPTIDE FRAGMENT CAPABLE OF CLEAVAGE BY ANALYTE, COMPLEMENTARY ENZYME ACCEPTOR FRAGMENT OF BETA-GALACTOSIDASE, SUBSTRATE CAPABLE OF REACTING WITH FORMED ENZYME COMPLEX, MEASURING CONVERSION BOEHRINGER MANNHEIM CORPORATION (US) 1998-06-09 US disclosed
EP-0817840-A2 CROSS-LINKED POLYPEPTIDE FRAGMENTS OF $g(b)-GALACTOSIDASE BOEHRINGER MANNHEIM CORPORATION (US) 1998-01-14 EP disclosed
EP-0817789-A1 BIS-MALEIMIDO CROSS-LINKING AGENTS BOEHRINGER MANNHEIM CORPORATION (US) 1998-01-14 EP disclosed
WO-1997027294-A1 CROSS-LINKED POLYPEPTIDE FRAGMENTS OF β-GALACTOSIDASE BOEHRINGER MANNHEIM CORPORATION (US) 1997-07-31 WO disclosed
WO-1997027320-A1 ASSAYS USING CROSS-LINKED POLYPEPTIDE FRAGMENTS OF β-GALACTOSIDASE BOEHRINGER MANNHEIM CORPORATION (US) 1997-07-31 WO disclosed
WO-1997027203-A1 BIS-MALEIMIDO CROSS-LINKING AGENTS BOEHRINGER MANNHEIM CORPORATION (US) 1997-07-31 WO disclosed