SCHEMBL6448736

SCHEMBL6448736

COC(=O)[C@@H](NC(=O)OCc1ccncc1)C(C)C

nearest known ligand 0.50

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
CTSB P07858 5/20 0.47
CTSL P07711 4/20 0.47
CTSK P43235 4/20 0.47
CTSS P25774 3/20 0.47
TRPM8 Q7Z2W7 1/20 0.47
POLB P06746 1/20 0.47
NAMPT P43490 1/20 0.46
MEN1 O00255 2/20 0.45
KMT2A Q03164 2/20 0.45
GAA P10253 1/20 0.45
ATM Q13315 1/20 0.45
KYNU Q16719 1/20 0.43
ELANE P08246 1/20 0.43
PRTN3 P24158 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
SCHEMBL6448729 1.00 CTSB (0.47) CTSBCTSLCTSKCTSSTRPM8
SCHEMBL7279131 0.89 CTSL (0.50) CTSBCTSLCTSKCTSSPOLB
SCHEMBL7279121 0.89 CTSL (0.50) CTSBCTSLCTSKCTSSPOLB
SCHEMBL6447838 0.87 CTSL (0.49) CTSBCTSLCTSKCTSSPOLB
SCHEMBL6447832 0.87 CTSL (0.49) CTSBCTSLCTSKCTSSPOLB
Lithium Ion SCHEMBL6447835 0.86 CTSL (0.46) CTSBCTSLCTSKCTSSPOLB
SCHEMBL28892051 0.85 TRPM8 (0.62) CTSBCTSLCTSKCTSSTRPM8
SCHEMBL10535601 0.85 TRPM8 (0.62) CTSBCTSLCTSKCTSSTRPM8
SCHEMBL10535596 0.85 TRPM8 (0.62) CTSBCTSLCTSKCTSSTRPM8
SCHEMBL22361608 0.84 CTSL (0.50) CTSBCTSLCTSKCTSSNAMPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0839798-B1 Intermediates for preparating non-peptide retroviral protease inhibitors ABBOTT LAB (US) 2005-08-17 EP disclosed
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