SCHEMBL9011706

SCHEMBL9011706

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

nearest known ligand 0.51

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
CTSS P25774 10/20 0.51
CTSK P43235 6/20 0.51
CTSL P07711 5/20 0.51
CTSB P07858 4/20 0.51
CASP1 P29466 1/20 0.46
REN P00797 1/20 0.44

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
SCHEMBL7269917 0.90 CTSL (0.57) CTSSCTSKCTSLCTSBCASP1
SCHEMBL9011705 0.85 REN (0.50) CTSSCTSKCTSLCTSBREN
SCHEMBL8372704 0.78 CTSB (0.61) CTSSCTSKCTSLCTSBCASP1
SCHEMBL6663697 0.77 CTSK (0.62) CTSSCTSKCTSLCTSBCASP1
SCHEMBL14020888 0.77 CTSK (0.62) CTSSCTSKCTSLCTSBCASP1
SCHEMBL25767336 0.76 CTSL (0.63) CTSSCTSKCTSLCTSB
SCHEMBL31376823 0.76 CTSS (0.58) CTSSCTSKCTSLCTSBCASP1
SCHEMBL25285984 0.75 CTSL (0.64) CTSSCTSKCTSLCTSB
SCHEMBL25285983 0.75 CTSL (0.64) CTSSCTSKCTSLCTSB
SCHEMBL6935695 0.75 CTSK (0.60) CTSSCTSKCTSLCTSBCASP1

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
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