SCHEMBL7303870

SCHEMBL7303870

CC(C)[C@H](NC(=O)N(C)Cc1nccs1)C(=O)Oc1ccc([N+](=O)[O-])cc1

nearest known ligand 0.41

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
GAA P10253 3/20 0.41
HTT P42858 1/20 0.41
PKM P14618 1/20 0.39
ALDH1A1 P00352 2/20 0.39
ACHE P22303 2/20 0.38
SLC6A4 P31645 2/20 0.38
MAPT P10636 2/20 0.38
KDM4E B2RXH2 1/20 0.38
NPC1 O15118 1/20 0.38
LMNA P02545 1/20 0.38
HTR2A P28223 1/20 0.37
TRPM8 Q7Z2W7 1/20 0.37
BCL9 O00512 1/20 0.36
CTNNB1 P35222 1/20 0.36

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
SCHEMBL7303865 1.00 GAA (0.41) GAAHTTPKMALDH1A1ACHE
SCHEMBL7308656 0.85 CYP3A4 (0.44) GAAHTTPKMALDH1A1MAPT
SCHEMBL7308651 0.85 CYP3A4 (0.44) GAAHTTPKMALDH1A1MAPT
SCHEMBL4680500 0.82 CA2 (0.51) GAAHTTALDH1A1ACHESLC6A4
SCHEMBL4680503 0.82 CA2 (0.51) GAAHTTALDH1A1ACHESLC6A4
SCHEMBL7311188 0.81 CYP3A4 (0.44) GAAALDH1A1ACHESLC6A4MAPT
SCHEMBL7311182 0.81 CYP3A4 (0.44) GAAALDH1A1ACHESLC6A4MAPT
SCHEMBL7307177 0.80 CYP3A4 (0.45) GAAALDH1A1MAPTHTR2ABCL9
SCHEMBL7307175 0.80 CYP3A4 (0.45) GAAALDH1A1MAPTHTR2ABCL9
SCHEMBL7310759 0.80 TSHR (0.39) GAAPKMALDH1A1NPC1TRPM8

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