SCHEMBL8558698

SCHEMBL8558698

O=C(O)CCC(NSc1ccccc1)C(=O)O

nearest known ligand 0.51

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ NAALAD2 Q9Y3Q0 6/20 0.51
▸ GGH Q92820 1/20 0.51
▸ GAA P10253 1/20 0.50
▸ MMP9 P14780 1/20 0.49
▸ MMP8 P22894 1/20 0.49
▸ MMP13 P45452 1/20 0.49
▸ ADAMTS4 O75173 1/20 0.49
▸ FOLH1 Q04609 5/20 0.46
▸ RIMKLA Q8IXN7 1/20 0.46
▸ CPA3 P15088 1/20 0.44
▸ FFAR1 O14842 1/20 0.43
▸ ALDH1A1 P00352 1/20 0.42

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
SCHEMBL4560594 0.81 MME (0.42) NAALAD2FOLH1FFAR1ALDH1A1
SCHEMBL4560596 0.81 MME (0.42) NAALAD2FOLH1FFAR1ALDH1A1
SCHEMBL60371 0.74 GAA (0.62) NAALAD2GGHGAAMMP9MMP8
SCHEMBL60370 0.74 GAA (0.62) NAALAD2GGHGAAMMP9MMP8
SCHEMBL2368115 0.73 GGH (0.58) NAALAD2GGHGAAMMP9MMP8
SCHEMBL1818651 0.71 NAALAD2 (0.60) NAALAD2GGHGAAMMP9MMP8
SCHEMBL698067 0.71 CA2 (0.67) NAALAD2GGHGAAADAMTS4FOLH1
SCHEMBL715646 0.71 CA2 (0.67) NAALAD2GGHGAAADAMTS4FOLH1
SCHEMBL869873 0.71 NAALAD2 (0.60) NAALAD2GGHGAAMMP9MMP8
SCHEMBL97498 0.71 CA2 (0.67) NAALAD2GGHGAAADAMTS4FOLH1

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
US-5843997-A Excitatory amino acid receptor antagonists ELI LILLY AND COMPANY (US) 1998-12-01 — — US disclosed
US-5576323-A CENTRAL NERVOUS SYSTEM DISORDERS ELI LILLY AND COMPANY (US) 1996-11-19 — — US disclosed
EP-0658539-A1 Excitatory amino acid receptor antagonists ELI LILLY AND COMPANY (US) 1995-06-21 — — EP disclosed
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