SCHEMBL7310831

SCHEMBL7310831

COc1cncc(COC(=O)N[C@H](C(=O)O)C(C)C)c1

nearest known ligand 0.46

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
TYR P14679 1/20 0.46
ATM Q13315 1/20 0.44
GPR132 Q9UNW8 2/20 0.43
ECE1 P42892 2/20 0.41
MME P08473 1/20 0.41
MAPK1 P28482 1/20 0.40
CTSL P07711 1/20 0.40
CTSB P07858 1/20 0.40
CTSS P25774 1/20 0.40
CTSK P43235 1/20 0.40
ALDH1A1 P00352 1/20 0.40
CA1 P00915 1/20 0.39
CTSD P07339 1/20 0.39
CA2 P00918 1/20 0.39
CA5A P35218 1/20 0.39
ELANE P08246 2/20 0.38
PRTN3 P24158 1/20 0.38

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
SCHEMBL7310825 1.00 TYR (0.46) TYRATMGPR132ECE1MME
SCHEMBL7298570 0.85 TYR (0.48) TYRATMGPR132ECE1MME
SCHEMBL7298563 0.85 TYR (0.48) TYRATMGPR132ECE1MME
SCHEMBL5711207 0.81 ATM (0.64) TYRATMECE1MMECTSL
SCHEMBL7269614 0.78 GPR132 (0.61) GPR132ECE1MMECTSLCTSB
SCHEMBL7269609 0.78 GPR132 (0.61) GPR132ECE1MMECTSLCTSB
SCHEMBL19607509 0.77 CTSL (0.55) TYRATMECE1MMECTSL
SCHEMBL7279131 0.77 CTSL (0.50) TYRATMECE1MMECTSL
SCHEMBL7279121 0.77 CTSL (0.50) TYRATMECE1MMECTSL
SCHEMBL6446200 0.77 GPR132 (0.60) GPR132ECE1MMECTSLCTSB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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
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