SCHEMBL13674348

SCHEMBL13674348

O=C(O)CC(NC(=O)CCC(=O)NC(CC(=O)O)C(=O)O)C(=O)O

nearest known ligand 0.67

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
CA2 P00918 3/20 0.62
CA4 P22748 1/20 0.62
GNPAT O15228 1/20 0.52
EPHX2 P34913 2/20 0.47
FOLH1 Q04609 1/20 0.45
RIMKLA Q8IXN7 1/20 0.45
NAALAD2 Q9Y3Q0 1/20 0.45
MME P08473 2/20 0.44
RECQL P46063 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
CASP3 P42574 1/20 0.44
FNTA P49354 2/20 0.42
FNTB P49356 2/20 0.42
GAA P10253 1/20 0.42
MAPT P10636 1/20 0.42
NOD1 Q9Y239 1/20 0.42
CA1 P00915 1/20 0.41

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
SCHEMBL13654776 0.96 CA2 (0.58) CA2CA4GNPATEPHX2FOLH1
SCHEMBL4572556 0.96 CA2 (0.58) CA2CA4GNPATEPHX2FOLH1
SCHEMBL10804103 0.87 CA2 (0.55) CA2CA4GNPATEPHX2FOLH1
SCHEMBL11279926 0.87 CA2 (0.55) CA2CA4GNPATEPHX2FOLH1
SCHEMBL4572562 0.87 CA2 (0.55) CA2CA4GNPATEPHX2FOLH1
SCHEMBL12426671 0.87 CA2 (0.55) CA2CA4GNPATEPHX2FOLH1
SCHEMBL14088908 0.87 CA2 (0.55) CA2CA4GNPATEPHX2FOLH1
SCHEMBL4572564 0.86 CA2 (0.62) CA2CA4EPHX2FOLH1RIMKLA
SCHEMBL28885652 0.86 CA2 (0.53) CA2CA4GNPATEPHX2MME
SCHEMBL30825659 0.86 EPHX2 (0.55) CA2CA4GNPATEPHX2FOLH1

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
US-7597882-B2 Protein crosslinkers, crosslinking methods and applications thereof INCEPT LLC (US) 2009-10-06 US disclosed
US-20070248567-A1 Protein crosslinkers, crosslinking methods and applications thereof AUGMENIX, INC. 2007-10-25 US disclosed