SCHEMBL8526673

SCHEMBL8526673

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

nearest known ligand 0.62

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
REN P00797 5/20 0.62
CTSL P07711 9/20 0.59
CTSK P43235 9/20 0.59
CTSS P25774 7/20 0.57
CTSB P07858 2/20 0.57
PSEN1 P49768 2/20 0.52
PSEN2 P49810 2/20 0.52
APH1B Q8WW43 2/20 0.52
NCSTN Q92542 2/20 0.52
APH1A Q96BI3 2/20 0.52
PSENEN Q9NZ42 2/20 0.52

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
SCHEMBL5048302 1.00 REN (0.62) RENCTSLCTSKCTSSCTSB
SCHEMBL8528279 0.92 PSEN1 (0.57) RENCTSLCTSKPSEN1PSEN2
SCHEMBL3498556 0.91 CTSS (0.64) RENCTSLCTSKCTSSCTSB
SCHEMBL7295862 0.91 CTSS (0.69) RENCTSLCTSKCTSSCTSB
SCHEMBL5050550 0.91 CTSS (0.69) RENCTSLCTSKCTSSCTSB
SCHEMBL7295855 0.91 CTSS (0.69) RENCTSLCTSKCTSSCTSB
SCHEMBL11599759 0.89 CTSS (0.55) RENCTSLCTSKCTSSCTSB
SCHEMBL2402235 0.86 CTSS (0.60) CTSLCTSKCTSSCTSB
SCHEMBL3922795 0.86 CTSS (0.60) CTSLCTSKCTSSCTSB
SCHEMBL6292769 0.86 CTSS (0.60) CTSLCTSKCTSSCTSB

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