SCHEMBL7333181

SCHEMBL7333181

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

nearest known ligand 0.70

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ATM Q13315 2/20 0.70
APP P05067 4/20 0.69
ACE P12821 1/20 0.61
CTSS P25774 3/20 0.57
CTSK P43235 2/20 0.57
CTSL P07711 1/20 0.57
CTSB P07858 1/20 0.57
PPARA Q07869 2/20 0.53
PPARG P37231 1/20 0.53
KLK5 Q9Y337 1/20 0.51
AKT1 P31749 1/20 0.50
SYK P43405 1/20 0.50
KMT2A Q03164 1/20 0.49
ITGB3 P05106 1/20 0.49
ITGA2B P08514 1/20 0.49

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
SCHEMBL18645283 1.00 ATM (0.70) ATMAPPACECTSSCTSK
SCHEMBL7333186 1.00 ATM (0.70) ATMAPPACECTSSCTSK
Glycine SCHEMBL28731427 0.87 APP (0.55) ATMAPPACECTSSCTSK
SCHEMBL8246300 0.86 ATM (0.61) ATMAPPACECTSSCTSK
SCHEMBL13702231 0.86 APP (0.54) ATMAPPACECTSSCTSK
SCHEMBL271598 0.85 ATM (0.87) ATMAPPACECTSSCTSK
SCHEMBL270486 0.85 ATM (0.87) ATMAPPACECTSSCTSK
SCHEMBL272619 0.85 ATM (0.87) ATMAPPACECTSSCTSK
SCHEMBL270485 0.85 ATM (0.87) ATMAPPACECTSSCTSK
SCHEMBL3612400 0.85 APP (0.70) ATMAPPACECTSSCTSK

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-0997459-A1 Intermediates for preparing retroviral protease inhibiting compounds Abbott Laboratories (US) 2000-05-03 EP 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-5554783-A (2R, 3R, 4S, 5S)-3-ACETOXY-2,5-BIS/BENZYLOXYCARBONYLAMINO/ -4-BROMO-1,5-DIPHENYLHEXANE ABBOTT LABORATORIES (US) 1996-09-10 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
EP-0486948-A2 Retroviral protease inhibiting compounds ABBOTT LABORATORIES (US) 1992-05-27 EP disclosed