SCHEMBL17399495

SCHEMBL17399495

CC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CC(=O)O)NS

nearest known ligand 0.54

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
MME P08473 3/20 0.54
ALDH1A1 P00352 1/20 0.47
ACE P12821 1/20 0.47
CPA1 P15085 1/20 0.47
ACE2 Q9BYF1 1/20 0.47
LTA4H P09960 2/20 0.47
MMP2 P08253 10/20 0.46
MMP3 P08254 5/20 0.46
MMP7 P09237 1/20 0.46
MMP1 P03956 4/20 0.46
GNPAT O15228 1/20 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
SCHEMBL19522131 0.91 MME (0.55) MMEALDH1A1ACECPA1ACE2
SCHEMBL29311795 0.85 MMP1 (0.52) MMEMMP2MMP3MMP7MMP1
SCHEMBL16800582 0.83 MME (0.50) MMEALDH1A1ACECPA1ACE2
SCHEMBL14567249 0.82 MME (0.50) MMELTA4HMMP2MMP3MMP1
SCHEMBL13107825 0.82 SLC15A1 (0.51) MMEALDH1A1LTA4HMMP2MMP3
SCHEMBL27267618 0.81 MME (0.53) MMEALDH1A1ACECPA1ACE2
SCHEMBL15145509 0.81 MME (0.53) MMEALDH1A1ACECPA1ACE2
SCHEMBL30999528 0.80 ACE (0.59) MMEACEMMP1GNPAT
SCHEMBL17323639 0.79 MMP2 (0.55) MMEALDH1A1ACECPA1ACE2
SCHEMBL7364478 0.79 GNPAT (0.48) MMEACELTA4HMMP2MMP1

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
US-9227996-B2 Peptide-based quorum sensing inhibitors for the attenuation of virulence in Staphylococcus aureus WISCONSIN ALUMNI RESEARCH FOUNDATION (US) 2016-01-05 US disclosed