SCHEMBL7276185

SCHEMBL7276185

CC(C)C(NC(=O)[C@@H](NC(=O)OCc1ccccc1)C(C)C)C(F)(F)C(O)C(CC1CCCCC1)NC(=O)[C@@H](NC(=O)OCc1ccccc1)C(C)C

nearest known ligand 0.52

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
CTSL P07711 4/20 0.52
CTSD P07339 4/20 0.47
REN P00797 4/20 0.47
CTSK P43235 5/20 0.45
CTSB P07858 4/20 0.45
CTSS P25774 3/20 0.45
ELANE P08246 1/20 0.44
CCR1 P32246 1/20 0.43
CTSE P14091 1/20 0.43
PGC P20142 1/20 0.43
CASP3 P42574 1/20 0.43

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
SCHEMBL9011705 0.89 REN (0.50) CTSLRENCTSKCTSBCTSS
SCHEMBL7434284 0.85 CTSK (0.51) CTSLRENCTSKCTSBCTSS
SCHEMBL7329100 0.85 CTSK (0.51) CTSLRENCTSKCTSBCTSS
SCHEMBL7279621 0.85 CTSD (0.52) CTSLCTSDRENCTSKCTSB
SCHEMBL7429221 0.84 CTSK (0.52) CTSLRENCTSKCTSBCTSS
SCHEMBL7269917 0.83 CTSL (0.57) CTSLCTSKCTSBCTSSELANE
SCHEMBL8120691 0.83 CTSD (0.61) CTSLCTSDRENCTSKCTSB
SCHEMBL7278761 0.80 REN (0.50) CTSLRENCTSKCTSBCTSS
SCHEMBL25285984 0.80 CTSL (0.64) CTSLCTSKCTSBCTSSELANE
SCHEMBL25285983 0.80 CTSL (0.64) CTSLCTSKCTSBCTSSELANE

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0402646-B1 Retroviral protease inhibiting compounds ABBOTT LAB (US) 1998-07-22 EP disclosed
EP-0839798-A2 Intermediates for preparating non-peptide retroviral protease inhibitors ABBOTT LABORATORIES (US) 1998-05-06 EP disclosed
US-5670675-A Retroviral protease inhibiting compounds ABBOTT LABORATORIES (US) 1997-09-23 US disclosed
US-5545750-A TREATING HUMAN IMMUNODEFICIENCY VIRUS ABBOTT LABORATORIES (US) 1996-08-13 US disclosed
US-5142056-A Human immunodeficiency virus protease inhibitor ABBOTT LABORATORIES (US) 1992-08-25 US disclosed
EP-0402646-A1 Retroviral protease inhibiting compounds ABBOTT LABORATORIES (US) 1990-12-19 EP disclosed