SCHEMBL7311795

SCHEMBL7311795

CC(C)[C@H](NC(=O)N1CCN(c2ccccc2)CC1)C(=O)Oc1ccc([N+](=O)[O-])cc1

nearest known ligand 0.49

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 4/20 0.49
KMT2A Q03164 4/20 0.49
HSD17B10 Q99714 1/20 0.49
ALDH1A1 P00352 9/20 0.48
MAPT P10636 8/20 0.48
SMN1; SMN2 Q16637 4/20 0.48
LMNA P02545 3/20 0.48
HTT P42858 3/20 0.48
MAPK1 P28482 1/20 0.48
POLB P06746 1/20 0.47
GFER P55789 1/20 0.47
MGLL Q99685 1/20 0.47
GAA P10253 2/20 0.47
L3MBTL1 Q9Y468 1/20 0.46
TP53 P04637 1/20 0.46
KDM4E B2RXH2 1/20 0.45

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
SCHEMBL7311788 1.00 MEN1 (0.49) MEN1KMT2AHSD17B10ALDH1A1MAPT
SCHEMBL7342713 0.85 MAPT (0.52) MEN1KMT2AALDH1A1MAPTSMN1; SMN2
SCHEMBL7342708 0.85 MAPT (0.52) MEN1KMT2AALDH1A1MAPTSMN1; SMN2
SCHEMBL7341211 0.85 MGLL (0.58) MEN1KMT2AALDH1A1MAPTSMN1; SMN2
SCHEMBL7341213 0.85 MGLL (0.58) MEN1KMT2AALDH1A1MAPTSMN1; SMN2
SCHEMBL7301109 0.80 HSD17B10 (0.70) MEN1KMT2AHSD17B10ALDH1A1MAPT
SCHEMBL7301105 0.80 HSD17B10 (0.70) MEN1KMT2AHSD17B10ALDH1A1MAPT
SCHEMBL1183642 0.78 MGLL (0.68) MEN1KMT2AALDH1A1MAPTSMN1; SMN2
SCHEMBL7308857 0.77 GAA (0.66) MEN1KMT2AHSD17B10ALDH1A1MAPT
SCHEMBL7308861 0.77 GAA (0.66) MEN1KMT2AHSD17B10ALDH1A1MAPT

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