SCHEMBL5341495

SCHEMBL5341495

NN(C(Cc1ccc(O)cc1)C(=O)O)[N+](=O)[O-]

nearest known ligand 0.50

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ SLC7A5 Q01650 1/20 0.50
▸ MMP2 P08253 1/20 0.39
▸ CPA1 P15085 3/20 0.39
▸ TAAR1 Q96RJ0 3/20 0.39
▸ CA1 P00915 1/20 0.39
▸ CA2 P00918 1/20 0.39
▸ SLC6A2 P23975 1/20 0.39
▸ FNTA P49354 1/20 0.38
▸ FNTB P49356 1/20 0.38
▸ POLB P06746 1/20 0.38
▸ MEN1 O00255 2/20 0.37
▸ KMT2A Q03164 2/20 0.37
▸ L3MBTL1 Q9Y468 2/20 0.37

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
SCHEMBL31480546 1.00 SLC7A5 (0.50) SLC7A5MMP2CPA1TAAR1CA1
SCHEMBL432794 0.84 SLC7A5 (0.49) SLC7A5CPA1CA1CA2FNTA
SCHEMBL432795 0.84 SLC7A5 (0.49) SLC7A5CPA1CA1CA2FNTA
SCHEMBL31480614 0.83 SLC7A5 (0.47) SLC7A5CPA1CA1CA2FNTA
SCHEMBL5966737 0.82 SLC7A5 (0.46) SLC7A5CPA1CA1CA2FNTA
SCHEMBL20856984 0.80 FNTA (0.47) SLC7A5CPA1FNTAFNTBPOLB
SCHEMBL29800397 0.79 SLC7A5 (0.58) SLC7A5TAAR1CA2SLC6A2POLB
SCHEMBL5352342 0.79 SLC7A5 (0.58) SLC7A5TAAR1CA2SLC6A2POLB
SCHEMBL8513742 0.78 OPRM1 (0.46) SLC7A5CPA1FNTAFNTB
SCHEMBL2542276 0.75 SLC7A5 (0.56) SLC7A5TAAR1CA2SLC6A2FNTA

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
WO-2005124338-A1 METHODS OF DETECTING NITROTYROSINE AND AMINOTYROSINE RESIDUES OF PEPTIDES AND PROTEINS BOARD OF REGENTS OF THE UNIVERSITY OF TEXAS SYSTEM (US) 2005-12-29 — — WO claimed
US-7223606-B2 Methods of detecting nitrotyrosine and aminotyrosine residues of peptides and proteins BOARD OF REGENTS OF THE UNIVERSITY OF TEXAS SYSTEM (US) 2007-05-29 — — US disclosed
US-20060035385-A1 Methods of detecting nitrotyrosine and aminotyrosine residues of peptides and proteins NATIONAL INSTITUTES OF HEALTH-DIRECTOR DEITR 2006-02-16 — — US disclosed
WO-2005124338-A1 METHODS OF DETECTING NITROTYROSINE AND AMINOTYROSINE RESIDUES OF PEPTIDES AND PROTEINS BOARD OF REGENTS OF THE UNIVERSITY OF TEXAS SYSTEM (US) 2005-12-29 — — WO disclosed
Send feedback