SCHEMBL7405173

SCHEMBL7405173

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

nearest known ligand 0.62

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
KLK5 Q9Y337 3/20 0.62
ATM Q13315 1/20 0.53
PSEN1 P49768 3/20 0.52
PSEN2 P49810 3/20 0.52
APH1B Q8WW43 3/20 0.52
NCSTN Q92542 3/20 0.52
APH1A Q96BI3 3/20 0.52
PSENEN Q9NZ42 3/20 0.52
ACE P12821 1/20 0.52
APP P05067 1/20 0.52
CTSS P25774 2/20 0.51
CTSL P07711 1/20 0.51
CTSB P07858 1/20 0.51
CTSK P43235 1/20 0.51
REN P00797 2/20 0.50
CTSD P07339 1/20 0.50

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
SCHEMBL21986636 1.00 KLK5 (0.62) KLK5ATMPSEN1PSEN2APH1B
SCHEMBL9395131 1.00 KLK5 (0.62) KLK5ATMPSEN1PSEN2APH1B
SCHEMBL7398543 1.00 KLK5 (0.62) KLK5ATMPSEN1PSEN2APH1B
SCHEMBL10788604 0.89 KLK5 (0.64) KLK5ATMPSEN1PSEN2APH1B
SCHEMBL4036667 0.88 KLK5 (0.62) KLK5ATMPSEN1PSEN2APH1B
SCHEMBL4038412 0.88 KLK5 (0.62) KLK5ATMPSEN1PSEN2APH1B
SCHEMBL4036632 0.88 KLK5 (0.62) KLK5ATMPSEN1PSEN2APH1B
SCHEMBL7435516 0.87 KLK5 (0.60) KLK5ATMPSEN1PSEN2APH1B
SCHEMBL7638374 0.87 KLK5 (0.60) KLK5ATMPSEN1PSEN2APH1B
SCHEMBL8787243 0.87 KLK5 (0.71) KLK5ATMPSEN1PSEN2APH1B

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-0632808-A1 ANTIVIRAL PEPTIDES Pfizer Limited (GB) 1995-01-11 EP disclosed
WO-1993023373-A1 N-[N'-(5-AMINO-4-HYDROXY-ACYLOYL)-α-AMINOACYLOYL] SUBSTITUTED HETEROCYCLES AND THEIR USE AS ANTIVIRAL AGENTS PFIZER LIMITED (GB) 1993-11-25 WO disclosed
WO-1993019059-A1 ANTIVIRAL PEPTIDES PFIZER LIMITED (GB) 1993-09-30 WO disclosed