SCHEMBL6447409

SCHEMBL6447409

CC(C)(C)OC(=O)NC(/C=C/Cc1ccccc1)Cc1ccccc1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ATM Q13315 1/20 0.54
ACE P12821 1/20 0.53
CTSS P25774 3/20 0.52
CTSK P43235 3/20 0.52
CTSL P07711 1/20 0.52
CTSB P07858 1/20 0.52
PPARA Q07869 4/20 0.51
PPARG P37231 3/20 0.51
REN P00797 1/20 0.51
ALDH1A1 P00352 2/20 0.47
APP P05067 1/20 0.47
MEN1 O00255 1/20 0.47
LMNA P02545 1/20 0.47
PKM P14618 1/20 0.47
HPGD P15428 1/20 0.47
ALOX15 P16050 1/20 0.47
TSHR P16473 1/20 0.47
XBP1 P17861 1/20 0.47
HTT P42858 1/20 0.47
KMT2A Q03164 1/20 0.47

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
SCHEMBL6447414 1.00 ATM (0.54) ATMACECTSSCTSKCTSL
SCHEMBL7369978 0.94 PPARA (0.49) ATMACECTSSCTSKCTSL
SCHEMBL7369981 0.94 PPARA (0.49) ATMACECTSSCTSKCTSL
SCHEMBL2736190 0.92 ATM (0.61) ATMACECTSSCTSKCTSL
SCHEMBL12137049 0.92 ATM (0.61) ATMACECTSSCTSKCTSL
SCHEMBL13286607 0.90 ATM (0.54) ATMACECTSSCTSKCTSL
SCHEMBL10548656 0.90 ATM (0.54) ATMACECTSSCTSKCTSL
SCHEMBL8030523 0.90 ATM (0.54) ATMACECTSSCTSKCTSL
SCHEMBL10549662 0.89 ATM (0.53) ATMACECTSSCTSKCTSL
SCHEMBL7324107 0.89 REN (0.54) ATMACECTSSCTSKCTSL

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 21 patents — showing the first 20. 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-0486948-B1 Retroviral protease inhibiting compounds ABBOTT LAB (US) 2000-10-04 EP disclosed
EP-0997459-A1 Intermediates for preparing retroviral protease inhibiting compounds Abbott Laboratories (US) 2000-05-03 EP disclosed
US-5837873-A PROTECTED OXYDIAMINES ABBOTT LABORATORIES (US) 1998-11-17 US 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-5648497-A Retroviral protease inhibiting compounds ABBOTT LABORAOTRIES (US) 1997-07-15 US disclosed
US-5616714-A PYRIDYL, THIAZOLYL-SUBSTITUTED AMINO ACID DERIVATIVES ABBOTT LABORATORIES (US) 1997-04-01 US disclosed
US-5597926-A Retroviral protease inhibiting compounds ABBOTT LABORATORIES (US) 1997-01-28 US disclosed
US-5545750-A TREATING HUMAN IMMUNODEFICIENCY VIRUS ABBOTT LABORATORIES (US) 1996-08-13 US disclosed
US-5541334-A TREATING HIV ABBOTT LABORATORIES (US) 1996-07-30 US disclosed
US-5354866-A Treating HIV infections ABBOTT LABORATORIES (US) 1994-10-11 US disclosed
US-5142056-A Human immunodeficiency virus protease inhibitor ABBOTT LABORATORIES (US) 1992-08-25 US disclosed
EP-0486948-A2 Retroviral protease inhibiting compounds ABBOTT LABORATORIES (US) 1992-05-27 EP disclosed
EP-0415981-A4 RETROVIRAL PROTEASE INHIBITORS 1991-10-09 EP disclosed
EP-0415981-A1 RETROVIRAL PROTEASE INHIBITORS ABBOTT LABORATORIES (US) 1991-03-13 EP disclosed
EP-0402646-A1 Retroviral protease inhibiting compounds ABBOTT LABORATORIES (US) 1990-12-19 EP disclosed
EP-0342541-A2 Retroviral protease inhibitors ABBOTT LABORATORIES (US) 1989-11-23 EP disclosed
WO-1989010752-A1 RETROVIRAL PROTEASE INHIBITORS ABBOTT LABORATORIES (US) 1989-11-16 WO disclosed