SCHEMBL5326532

SCHEMBL5326532

Nc1ccc(C#Cc2cc(CN(CC(=O)O)CC(=O)O)nc(CN(CC(=O)O)CC(=O)O)c2)cc1

nearest known ligand 0.42

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
APP P05067 4/20 0.42
MAPT P10636 1/20 0.40
FFAR1 O14842 14/20 0.39
EGLN1 Q9GZT9 1/20 0.36
FFAR4 Q5NUL3 2/20 0.33

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
SCHEMBL2384732 0.91 APP (0.36) APPMAPTFFAR1EGLN1
SCHEMBL24409564 0.89 APP (0.34) APPMAPTFFAR1EGLN1
SCHEMBL2367316 0.87 FFAR1 (0.35) APPMAPTFFAR1EGLN1
SCHEMBL5009551 0.87 FFAR1 (0.44) APPFFAR1EGLN1FFAR4
SCHEMBL9356281 0.87 FFAR1 (0.37) APPMAPTFFAR1EGLN1
SCHEMBL13247884 0.86 EGLN1 (0.48) FFAR1EGLN1
SCHEMBL15622015 0.84 CA1 (0.33)
SCHEMBL18674481 0.83 FFAR1 (0.36) MAPTFFAR1
SCHEMBL18674465 0.82 EGLN1 (0.36) APPFFAR1EGLN1
SCHEMBL10367552 0.81 ACACB (0.37) APP

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
WO-2007128873-A1 A METHOD FOR THE PREPARATION OF MALEIMIDO DERIVATIVES OF BIOMOLECULE LABELING REACTANTS AND CONJUGATES DERIVED THEREOF WALLAC OY (FI) 2007-11-15 WO disclosed
EP-0886754-B1 NON-COMPETITIVE IMMUNOASSAY WITH BLOCKING OF UNOCCUPIED SPECIFIC BINDING SITES ON SOLID PHASE WALLAC OY (FI) 2003-01-22 EP disclosed
US-6037185-A DETERMINATION OF ANALYTES; CONTACTING SAMPLE WITH BINDING PARTNER, ADDING A BLOCKER, DISSOCIATE BLOCKER, ADD LABELLED MARKER, MEASURING SIGNAL FROM THE LABELLED MARKER BOUND TO THE BINDING PARTNER, WALLAC OY (FI) 2000-03-14 US disclosed
EP-0886754-A1 NON-COMPETITIVE IMMUNOASSAY WITH BLOCKING OF UNOCCUPIED SPECIFIC BINDING SITES ON SOLID PHASE WALLAC OY (FI) 1998-12-30 EP disclosed
WO-1997029373-A1 NON-COMPETITIVE IMMUNOASSAY WITH BLOCKING OF UNOCCUPIED SPECIFIC BINDING SITES ON SOLID PHASE WALLAC OY (FI) 1997-08-14 WO disclosed
EP-0374221-B1 Method for enzyme activity determination characterized by the use of substrates which fluorescent properties differ from those of the converted products KABI PHARMACIA AB (SE) 1994-08-10 EP disclosed
US-5252462-A Enzyme activity determinations method characterized by the using of substrates whose fluorescent properties differs those of the converted products PHARMACIA AB (SE) 1993-10-12 US disclosed