SCHEMBL8594034

SCHEMBL8594034

CCCCC(NN1C(=O)C=CC1=O)C(=O)O

nearest known ligand 0.42

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ MME P08473 2/20 0.42
▸ CA2 P00918 2/20 0.41
▸ NOD1 Q9Y239 1/20 0.39
▸ ACE P12821 5/20 0.38
▸ MAPK1 P28482 1/20 0.38
▸ FOLH1 Q04609 1/20 0.38
▸ CPA1 P15085 1/20 0.36
▸ ACE2 Q9BYF1 1/20 0.36
▸ CTSK P43235 2/20 0.36
▸ PTGS1 P23219 3/20 0.36
▸ PTGS2 P35354 3/20 0.36
▸ MGLL Q99685 2/20 0.36
▸ FAAH O00519 1/20 0.36

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
SCHEMBL1824034 0.83 FOLH1 (0.45) CA2ACEFOLH1
SCHEMBL1824031 0.83 FOLH1 (0.45) CA2ACEFOLH1
SCHEMBL38654695 0.79 C3AR1 (0.45) FOLH1
SCHEMBL29631981 0.78 KDM4E (0.42) MMECA2ACEFOLH1PTGS2
SCHEMBL31549503 0.78 TGFBR1 (0.37) MMECA2PTGS1PTGS2
SCHEMBL29024437 0.77 KMT2A (0.43) CA2FOLH1
SCHEMBL23064407 0.77 FOLH1 (0.40) FOLH1
SCHEMBL29024583 0.76 MME (0.38) MMECA2PTGS1PTGS2
SCHEMBL3517842 0.75 MME (0.52) MMECA2NOD1ACEFOLH1
SCHEMBL3517847 0.74 NOD1 (0.52) MMECA2NOD1PTGS1PTGS2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-1998059242-A1 HOMOCYSTEINE ASSAY NEXSTAR PHARMACEUTICALS, INC. (US) 1998-12-30 — — WO disclosed
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