SCHEMBL9356281

SCHEMBL9356281

Nc1ccc(C#Cc2cc(CN(CC(=O)O)CC(=O)O)nc(-c3cccc(CN(CC(=O)O)CC(=O)O)n3)c2)cc1

nearest known ligand 0.37

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
FFAR1 O14842 14/20 0.37
MAPT P10636 1/20 0.35
APP P05067 2/20 0.34
EGLN1 Q9GZT9 1/20 0.31
PTGER2 P43116 1/20 0.30

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
SCHEMBL5326532 0.87 APP (0.42) FFAR1MAPTAPPEGLN1
SCHEMBL9360082 0.84 ACACB (0.36)
SCHEMBL9356539 0.84 HSD17B10 (0.34) FFAR1
SCHEMBL13997750 0.81 LTB4R (0.41) MAPT
SCHEMBL9594349 0.81 LTB4R (0.41) MAPT
SCHEMBL2384732 0.79 APP (0.36) FFAR1MAPTAPPEGLN1
SCHEMBL9296643 0.79 LTB4R (0.41) MAPT
SCHEMBL8765490 0.78 TDP1 (0.38) APP
SCHEMBL5009551 0.77 FFAR1 (0.44) FFAR1APPEGLN1
SCHEMBL24409564 0.77 APP (0.34) FFAR1MAPTAPPEGLN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0357731-B1 A NOVEL SPECTROFLUOROMETRIC METHOD AND COMPOUNDS THAT ARE OF VALUE FOR THE METHOD WALLAC OY (FI) 1994-11-30 EP disclosed
US-5216134-A Using two different chelates as probes WALLAC OY (FI) 1993-06-01 US disclosed
EP-0357731-A1 A NOVEL SPECTROFLUOROMETRIC METHOD AND COMPOUNDS THAT ARE OF VALUE FOR THE METHOD. WALLAC OY (FI) 1990-03-14 EP disclosed
WO-1989008263-A1 A NOVEL SPECTROFLUOROMETRIC METHOD AND COMPOUNDS THAT ARE OF VALUE FOR THE METHOD WALLAC OY (FI) 1989-09-08 WO disclosed