SCHEMBL7363606

SCHEMBL7363606

O=C(O)c1ccc(C(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)O)cc1

nearest known ligand 0.71

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
CA2 P00918 9/20 0.71
CA1 P00915 5/20 0.71
MEN1 O00255 2/20 0.63
KMT2A Q03164 2/20 0.63
L3MBTL1 Q9Y468 2/20 0.63
PTPN1 P18031 2/20 0.62
CA12 O43570 1/20 0.61
CA9 Q16790 1/20 0.61
FOLH1 Q04609 1/20 0.56
NAALAD2 Q9Y3Q0 1/20 0.56
CTSL P07711 1/20 0.55
LNPEP Q9UIQ6 1/20 0.54
ACE P12821 1/20 0.52
MME P08473 1/20 0.52

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
SCHEMBL4054766 0.95 CA2 (0.77) CA2CA1MEN1KMT2AL3MBTL1
SCHEMBL8671997 0.95 CA2 (0.77) CA2CA1MEN1KMT2AL3MBTL1
SCHEMBL4054764 0.95 CA2 (0.77) CA2CA1MEN1KMT2AL3MBTL1
Aminobenzoic Acid SCHEMBL28815951 0.90 CA2 (0.63) CA2CA1MEN1KMT2AL3MBTL1
SCHEMBL5793343 0.89 CA2 (0.69) CA2CA1PTPN1CA12CA9
SCHEMBL3404637 0.89 CA2 (0.69) CA2CA1PTPN1CA12CA9
SCHEMBL3497780 0.89 PTPN1 (0.72) CA2CA1MEN1KMT2AL3MBTL1
SCHEMBL8667639 0.89 CA2 (0.69) CA2CA1PTPN1CA12CA9
SCHEMBL8520566 0.89 PTPN1 (0.72) CA2CA1MEN1KMT2AL3MBTL1
SCHEMBL13669574 0.88 CA2 (0.70) CA2CA1PTPN1CA12CA9

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0846127-A1 ACYLATED OLIGOPEPTIDE DERIVATIVES HAVING CELL SIGNAL INHIBITING ACTIVITY Novartis AG (CH) 1998-06-10 EP disclosed
WO-1997008193-A1 ACYLATED OLIGOPEPTIDE DERIVATIVES HAVING CELL SIGNAL INHIBITING ACTIVITY NOVARTIS AG (CH) 1997-03-06 WO disclosed