SCHEMBL7364478

SCHEMBL7364478

CC(=O)C(CC(=O)O)NC(=O)C(Cc1ccccc1)NC(=O)C(N)C(C)C

nearest known ligand 0.49

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
GNPAT O15228 1/20 0.48
MME P08473 1/20 0.47
BACE1 P56817 3/20 0.47
MMP1 P03956 3/20 0.46
FCER2 P06734 1/20 0.46
LTA4H P09960 2/20 0.46
ACE P12821 1/20 0.46
MMP2 P08253 4/20 0.46

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
SCHEMBL19750987 0.89 BACE1 (0.56) MMEBACE1ACEMMP2
SCHEMBL30051551 0.85 MME (0.58) GNPATMMEACE
SCHEMBL31668884 0.85 BACE1 (0.60) MMEBACE1MMP1
SCHEMBL30051314 0.83 LTA4H (0.56) GNPATMMELTA4HACE
SCHEMBL26169838 0.83 MME (0.59) MMEACE
SCHEMBL7405637 0.83 MMP1 (0.59) MMP1FCER2MMP2
Mdl-28170 SCHEMBL30873029 0.83 MME (0.61) MMEACE
Mdl-28170 SCHEMBL7335375 0.83 MME (0.61) MMEACE
Mdl-28170 SCHEMBL11370994 0.83 MME (0.61) MMEACE
SCHEMBL30385107 0.82 GNPAT (0.52) GNPATMMEBACE1MMP1MMP2

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
WO-1993009135-A1 PEPTIDES INHIBITING IL-1 BETA RELEASE SANDOZ LTD. (CH) 1993-05-13 WO disclosed