SCHEMBL9504997

SCHEMBL9504997

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

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KLK5 Q9Y337 1/20 0.55
APP P05067 2/20 0.53
ACE P12821 1/20 0.53
ATM Q13315 2/20 0.51
KMT2A Q03164 2/20 0.51
MEN1 O00255 1/20 0.51
PSEN1 P49768 1/20 0.50
PSEN2 P49810 1/20 0.50
APH1B Q8WW43 1/20 0.50
NCSTN Q92542 1/20 0.50
APH1A Q96BI3 1/20 0.50
PSENEN Q9NZ42 1/20 0.50
CA2 P00918 1/20 0.50
CTSS P25774 2/20 0.49
CTSL P07711 1/20 0.49
CTSB P07858 1/20 0.49
CTSK P43235 1/20 0.49
ANPEP P15144 1/20 0.49
RNPEP Q9H4A4 1/20 0.49
DNPEP Q9ULA0 1/20 0.49

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
SCHEMBL26561583 0.90 CTSS (0.52) KLK5APPACEATMKMT2A
SCHEMBL9508971 0.88 ACE (0.55) KLK5APPACEATMKMT2A
SCHEMBL7324443 0.85 ACE (0.67) KLK5APPACEATMPSEN1
SCHEMBL9508444 0.83 KLK5 (0.53) KLK5APPACEATMKMT2A
SCHEMBL10192143 0.80 CTSK (0.51) KLK5APPACEATMKMT2A
SCHEMBL13309005 0.80 CTSK (0.51) KLK5APPACEATMKMT2A
SCHEMBL26568829 0.80 KLK5 (0.49) KLK5APPKMT2AMEN1PSEN1
SCHEMBL8130179 0.80 KMT2A (0.67) KLK5APPACEATMKMT2A
SCHEMBL29602242 0.80 KMT2A (0.67) KLK5APPACEATMKMT2A
SCHEMBL1790255 0.79 ACE (0.65) KLK5APPACEATMKMT2A

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
EP-0556405-A1 PSEUDOPENTAPEPTIDES WITH IMMUNOMODULATING ACTIVITY Japan Tobacco Inc. (JP) 1993-08-25 EP disclosed
WO-1993004080-A1 PSEUDOPENTAPEPTIDES WITH IMMUNOMODULATING ACTIVITY JAPAN TOBACCO INC. (JP) 1993-03-04 WO disclosed