SCHEMBL7303468

SCHEMBL7303468

Cc1ccc(COC(=O)NC(C(=O)O)C(C)C)cn1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TYR P14679 1/20 0.46
GPR132 Q9UNW8 2/20 0.45
ECE1 P42892 2/20 0.44
MME P08473 1/20 0.44
CTSL P07711 3/20 0.44
CTSS P25774 2/20 0.44
CTSB P07858 2/20 0.44
CTSK P43235 2/20 0.44
CA2 P00918 1/20 0.42
CA5A P35218 1/20 0.42
ATM Q13315 2/20 0.41
POLB P06746 1/20 0.41
MAPK1 P28482 1/20 0.40
NPSR1 Q6W5P4 1/20 0.40
TSHR P16473 1/20 0.40
CASP1 P29466 1/20 0.40
CASP3 P42574 1/20 0.40
CASP7 P55210 1/20 0.40
CASP9 P55211 1/20 0.40
CASP6 P55212 1/20 0.40

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
SCHEMBL7303476 1.00 TYR (0.46) TYRGPR132ECE1MMECTSL
SCHEMBL7303438 0.85 TYR (0.44) TYRGPR132ECE1MMECTSL
SCHEMBL7303435 0.85 TYR (0.44) TYRGPR132ECE1MMECTSL
SCHEMBL19607509 0.85 CTSL (0.55) TYRECE1MMECTSLCTSS
SCHEMBL7384652 0.82 CTSK (0.52) TYRCTSLCTSSCTSBCTSK
SCHEMBL8604954 0.82 CTSL (0.51) TYRECE1MMECTSLCTSS
SCHEMBL7269609 0.82 GPR132 (0.61) GPR132ECE1MMECTSLCTSS
SCHEMBL7269614 0.82 GPR132 (0.61) GPR132ECE1MMECTSLCTSS
SCHEMBL6446192 0.81 GPR132 (0.60) GPR132ECE1MMECTSLCTSS
SCHEMBL6446200 0.81 GPR132 (0.60) GPR132ECE1MMECTSLCTSS

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