SCHEMBL7342149

SCHEMBL7342149

CC(C)[C@H](NC(=O)OCc1ccccc1)C(=O)N[C@@H](Cc1ccccc1)[C@@H](O)[C@@H](O)[C@@H](N)Cc1ccccc1

nearest known ligand 0.68

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CTSD P07339 5/20 0.68
CA2 P00918 2/20 0.50
TRPM8 Q7Z2W7 1/20 0.50
CA5A P35218 1/20 0.50
CTSL P07711 1/20 0.50
CTSS P25774 1/20 0.50
CASP3 P42574 1/20 0.50
REN P00797 1/20 0.50
ECE1 P42892 3/20 0.48
CA1 P00915 1/20 0.48
PSMB11 A5LHX3 3/20 0.48
PSMA7 O14818 3/20 0.48
PSMB1 P20618 3/20 0.48
PSMA1 P25786 3/20 0.48
PSMA2 P25787 3/20 0.48
PSMA3 P25788 3/20 0.48
PSMA4 P25789 3/20 0.48
PSMB8 P28062 3/20 0.48
PSMB9 P28065 3/20 0.48
PSMA5 P28066 3/20 0.48

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
SCHEMBL6448595 0.97 CTSD (0.69) CTSDCA2TRPM8CA5ACTSL
SCHEMBL6446151 0.93 CTSD (0.76) CTSDCA2TRPM8CA5ACTSL
SCHEMBL6445103 0.93 CTSD (0.76) CTSDCA2TRPM8CA5ACTSL
SCHEMBL9740721 0.93 CTSD (0.76) CTSDCA2TRPM8CA5ACTSL
SCHEMBL9232828 0.93 CTSD (0.76) CTSDCA2TRPM8CA5ACTSL
SCHEMBL6446780 0.93 CTSD (0.76) CTSDCA2TRPM8CA5ACTSL
SCHEMBL6132144 0.91 CTSD (0.76) CTSDCA2TRPM8CA5ACTSL
SCHEMBL6449641 0.91 CTSD (0.76) CTSDCA2TRPM8CA5ACTSL
SCHEMBL6447685 0.91 CTSD (0.57) CTSDCA2CTSLREN
SCHEMBL7270703 0.89 CTSD (0.68) CTSDCA2TRPM8CA5ACTSL

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 9 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-5837873-A PROTECTED OXYDIAMINES ABBOTT LABORATORIES (US) 1998-11-17 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-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