SCHEMBL8429586

SCHEMBL8429586

NC(=O)CC[C@@H](NC(=O)CNc1ccccc1)C(=O)O

nearest known ligand 0.63

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 1/20 0.63
MMP2 P08253 2/20 0.48
MMP9 P14780 2/20 0.48
GAA P10253 1/20 0.48
CA2 P00918 5/20 0.47
CA1 P00915 4/20 0.47
ERCC1 P07992 2/20 0.43
ERCC4 Q92889 2/20 0.43
C3AR1 Q16581 3/20 0.43
NAALAD2 Q9Y3Q0 2/20 0.43
FOLH1 Q04609 2/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
PYGL P06737 1/20 0.40

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
SCHEMBL8429491 1.00 KMT2A (0.63) KMT2AMMP2MMP9GAACA2
SCHEMBL4456099 0.82 ERCC1 (0.50) KMT2AGAACA2CA1ERCC1
SCHEMBL4456109 0.82 ERCC1 (0.50) KMT2AGAACA2CA1ERCC1
SCHEMBL6256233 0.81 CA2 (0.54) KMT2AMMP2MMP9CA2CA1
SCHEMBL7449907 0.80 MME (0.50) KMT2ACA2ERCC1ERCC4FOLH1
SCHEMBL20334998 0.79 KMT2A (0.74) KMT2AMMP2MMP9GAACA2
SCHEMBL20334999 0.79 KMT2A (0.74) KMT2AMMP2MMP9GAACA2
SCHEMBL6249941 0.79 KMT2A (0.58) KMT2AMMP2MMP9CA2CA1
SCHEMBL236526 0.79 KMT2A (0.58) KMT2AMMP2MMP9CA2CA1
SCHEMBL6249937 0.79 KMT2A (0.58) KMT2AMMP2MMP9CA2CA1

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
EP-0635026-B1 NOVEL LIPOPHILIC OLIGOPEPTIDES WITH IMMUNOMODULATING ACTIVITY IAF BIOCHEM INT (CA) 1999-11-10 EP claimed