SCHEMBL8529162

SCHEMBL8529162

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

nearest known ligand 0.55

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
CTSL P07711 7/20 0.55
CPA1 P15085 2/20 0.51
CPA2 P48052 2/20 0.51
CPA4 Q9UI42 2/20 0.51
CPB1 P15086 1/20 0.51
ACE2 Q9BYF1 1/20 0.51
CTSS P25774 4/20 0.50
CTSK P43235 4/20 0.50
ALDH1A1 P00352 1/20 0.48
MME P08473 2/20 0.48

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
SCHEMBL8530975 0.91 CTSL (0.62) CTSLCPA1CPA2CPA4CPB1
SCHEMBL8528279 0.86 PSEN1 (0.57) CTSLCTSK
SCHEMBL8526731 0.84 CTSL (0.57) CTSLCTSSCTSKMME
SCHEMBL1795838 0.84 CTSL (0.60) CTSLCTSSCTSKMME
SCHEMBL7421185 0.83 CPA1 (0.59) CPA1CPA2CPA4CPB1ACE2
SCHEMBL4957095 0.83 CTSL (0.58) CTSLCTSSCTSKMME
SCHEMBL6660641 0.81 CTSS (0.64) CTSLCTSSCTSK
SCHEMBL6660650 0.81 CTSS (0.64) CTSLCTSSCTSK
SCHEMBL2183798 0.80 CTSC (0.62) CTSKMME
SCHEMBL20609249 0.80 CTSK (0.73) CTSLCTSSCTSK

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5821331-A INHIBIT THE PROTEOLYTIC ACTIVITY OF PROTEASES ELI LILLY AND COMPANY (US) 1998-10-13 US claimed
EP-0632051-A1 Anti-picornaviral agents ELI LILLY AND COMPANY (US) 1995-01-04 EP claimed
US-5821331-A INHIBIT THE PROTEOLYTIC ACTIVITY OF PROTEASES ELI LILLY AND COMPANY (US) 1998-10-13 US disclosed
US-5514778-A ENZYME INHIBITORS OF PROTEOLYTIC ENZYMES FOR RHINOVIRUSES ELI LILLY AND COMPANY (US) 1996-05-07 US disclosed
EP-0632051-A1 Anti-picornaviral agents ELI LILLY AND COMPANY (US) 1995-01-04 EP disclosed