SCHEMBL8997346

SCHEMBL8997346

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

nearest known ligand 0.61

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
MMP2 P08253 1/20 0.56
MMP7 P09237 1/20 0.56
MMP9 P14780 1/20 0.56
MMP12 P39900 1/20 0.56
MMP13 P45452 1/20 0.56
MME P08473 5/20 0.55
ACE P12821 4/20 0.55
CPA1 P15085 2/20 0.55
ACE2 Q9BYF1 2/20 0.55

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
SCHEMBL9387450 0.89 MMP2 (0.57) MMP2MMP7MMP9MMP12MMP13
SCHEMBL28158988 0.85 MMP2 (0.53) MMP2MMP7MMP9MMP12MMP13
SCHEMBL31387895 0.84 MMP2 (0.52) MMP2MMP7MMP9MMP12MMP13
SCHEMBL7357393 0.80 MME (0.60) MMP2MMP7MMP9MMP12MMP13
SCHEMBL7357412 0.80 MME (0.60) MMP2MMP7MMP9MMP12MMP13
SCHEMBL31512922 0.79 CTSK (0.56) MMP2MMP7MMP9MMP12MMP13
SCHEMBL15223639 0.79 MME (0.66) MMP2MMP7MMP9MMP12MMP13
SCHEMBL2873585 0.79 MME (0.62) MMP2MMP7MMP9MMP12MMP13
SCHEMBL31512916 0.78 REN (0.59) MMP2MMP7MMP9MMP12MMP13
SCHEMBL9387432 0.78 MME (0.61) MMP2MMP7MMP9MMP12MMP13

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0570352-B1 Novel hexapeptide UNIV WASHINGTON (US) 1996-09-04 EP disclosed
EP-0570352-A1 Novel hexapeptide WASHINGTON UNIVERSITY (US) 1993-11-18 EP disclosed
US-5225531-A Ligand binding specificity of the leukocyte response integrin expressed by human neutrophils WASHINGTON UNIVERSITY (US) 1993-07-06 US disclosed