SCHEMBL4609913

SCHEMBL4609913

CCCCC(CC)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)O

nearest known ligand 0.67

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
MMP9 P14780 4/20 0.67
MMP8 P22894 4/20 0.67
MMP2 P08253 3/20 0.67
ACE P12821 3/20 0.66
ECE1 P42892 4/20 0.65
ALOX15 P16050 1/20 0.61
LTA4H P09960 1/20 0.61
MMP1 P03956 1/20 0.60
MMP3 P08254 1/20 0.60

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
SCHEMBL31036184 0.94 ACE (0.69) MMP9MMP8ACEECE1ALOX15
SCHEMBL31036035 0.89 ACE (0.71) ACEECE1ALOX15LTA4H
SCHEMBL30645700 0.87 ERAP2 (0.71) MMP9MMP8MMP2ACEECE1
SCHEMBL30369009 0.87 ERAP2 (0.71) MMP9MMP8MMP2ACEECE1
SCHEMBL30999641 0.84 ACE (0.62) MMP9MMP8MMP2ACEECE1
SCHEMBL31036126 0.84 ECE1 (0.79) MMP9MMP8MMP2ACEECE1
SCHEMBL8357553 0.84 ACE (0.72) MMP9MMP8MMP2ACEECE1
SCHEMBL30999527 0.84 ACE (0.62) MMP9MMP8MMP2ACEECE1
SCHEMBL30368556 0.84 ACE (0.64) MMP9MMP8MMP2ACEECE1
SCHEMBL31036175 0.84 ACE (0.78) ACEECE1ALOX15

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-1471881-B1 USE OF A COMPOUND INACTIVATING THE KINASE A PROTEIN IN A COMPOSITION CONTAINING A COSMETICALLY ACCEPTABLE MEDIUM IN ORDER TO LIGHTEN THE SKIN SEPPIC SA (FR) 2008-10-15 EP disclosed