SCHEMBL7303435

SCHEMBL7303435

COc1ccc(COC(=O)NC(C(=O)O)C(C)C)cn1

nearest known ligand 0.45

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
TYR P14679 1/20 0.44
ATM Q13315 1/20 0.44
ACACB O00763 2/20 0.43
ECE1 P42892 2/20 0.43
MAPK1 P28482 1/20 0.43
MME P08473 1/20 0.43
CTSL P07711 1/20 0.42
CTSB P07858 1/20 0.42
CTSS P25774 1/20 0.42
CTSK P43235 1/20 0.42
GPR132 Q9UNW8 2/20 0.41
CTSD P07339 1/20 0.41
CA2 P00918 1/20 0.41
CA5A P35218 1/20 0.41
ADAMTS4 O75173 1/20 0.40
MEN1 O00255 1/20 0.40
KMT2A Q03164 1/20 0.40
ELANE P08246 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
SCHEMBL7303438 1.00 TYR (0.44) TYRATMACACBECE1MAPK1
SCHEMBL7303476 0.85 TYR (0.46) TYRATMECE1MAPK1MME
SCHEMBL7303468 0.85 TYR (0.46) TYRATMECE1MAPK1MME
SCHEMBL19607509 0.83 CTSL (0.55) TYRATMECE1MMECTSL
SCHEMBL5711207 0.81 ATM (0.64) TYRATMECE1MMECTSL
SCHEMBL7306008 0.80 TAS2R14 (0.43) ACACBMAPK1CA2ADAMTS4MEN1
SCHEMBL7306017 0.80 TAS2R14 (0.43) ACACBMAPK1CA2ADAMTS4MEN1
SCHEMBL6149680 0.78 CTSL (0.51) TYRATMECE1MMECTSL
SCHEMBL8604954 0.78 CTSL (0.51) TYRATMECE1MMECTSL
SCHEMBL7269609 0.78 GPR132 (0.61) ECE1MMECTSLCTSBCTSS

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