SCHEMBL9508971

SCHEMBL9508971

CC(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
ACE P12821 1/20 0.55
ATM Q13315 2/20 0.53
APP P05067 1/20 0.52
PSEN1 P49768 1/20 0.52
PSEN2 P49810 1/20 0.52
APH1B Q8WW43 1/20 0.52
NCSTN Q92542 1/20 0.52
APH1A Q96BI3 1/20 0.52
PSENEN Q9NZ42 1/20 0.52
CA2 P00918 1/20 0.52
ANPEP P15144 1/20 0.51
RNPEP Q9H4A4 1/20 0.51
DNPEP Q9ULA0 1/20 0.51
CTSS P25774 2/20 0.51
CTSL P07711 1/20 0.51
CTSB P07858 1/20 0.51
CTSK P43235 1/20 0.51
MME P08473 2/20 0.50
KLK5 Q9Y337 2/20 0.49
KMT2A Q03164 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
SCHEMBL9504997 0.88 KLK5 (0.55) ACEATMAPPPSEN1PSEN2
SCHEMBL7324443 0.88 ACE (0.67) ACEATMAPPPSEN1PSEN2
SCHEMBL9508990 0.82 ATM (0.50) ACEATMAPPPSEN1PSEN2
SCHEMBL835353 0.81 ATM (0.53) ACEATMCTSSCTSLCTSB
SCHEMBL14738131 0.81 ATM (0.53) ACEATMCTSSCTSLCTSB
SCHEMBL1991941 0.81 ATM (0.53) ACEATMCTSSCTSLCTSB
SCHEMBL1790255 0.81 ACE (0.65) ACEATMAPPPSEN1PSEN2
SCHEMBL20836770 0.80 NAALAD2 (0.66) ACEATMAPPCTSSCTSL
SCHEMBL1323164 0.80 NAALAD2 (0.66) ACEATMAPPCTSSCTSL
SCHEMBL9439238 0.80 NAALAD2 (0.66) ACEATMAPPCTSSCTSL

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