SCHEMBL8975237

SCHEMBL8975237

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

nearest known ligand 0.62

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
LTA4H P09960 1/20 0.60
MME P08473 3/20 0.60
MMP2 P08253 1/20 0.57
MMP7 P09237 1/20 0.57
MMP9 P14780 1/20 0.57
MMP12 P39900 1/20 0.57
MMP13 P45452 1/20 0.57
ACE P12821 1/20 0.56
CPA1 P15085 1/20 0.56
ACE2 Q9BYF1 1/20 0.56

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
SCHEMBL31611867 0.95 LTA4H (0.56) LTA4HMME
SCHEMBL27983689 0.95 LTA4H (0.64) LTA4HMME
SCHEMBL30386347 0.93 BACE1 (0.60) LTA4HMMEMMP2MMP7MMP9
SCHEMBL30050978 0.92 LTA4H (0.63) LTA4HMMEMMP2MMP7MMP9
SCHEMBL30051692 0.92 LTA4H (0.67) LTA4HMMEMMP2MMP7MMP9
SCHEMBL30385451 0.92 BACE1 (0.59) LTA4HMMP2MMP7MMP9MMP12
SCHEMBL30799804 0.91 OPRM1 (0.60) LTA4HMME
SCHEMBL30473791 0.90 FOLH1 (0.65) MMEACECPA1ACE2
SCHEMBL31602914 0.90 LTA4H (0.57) LTA4HMMEMMP2MMP7MMP9
SCHEMBL31482433 0.90 LTA4H (0.57) LTA4HMMEMMP2MMP7MMP9

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-5500208-A Oral compositions comprising a novel tripeptide THE PROCTER & GAMBLE COMPANY (US) 1996-03-19 US disclosed
WO-1995033764-A2 ORAL COMPOSITIONS COMPRISING A NOVEL TRIPEPTIDE PROCTER & GAMBLE (US) 1995-12-14 WO disclosed