SCHEMBL7369988

SCHEMBL7369988

Cc1ccc(CC=CC(C(=O)OC(C)(C)C)C(N)c2ccccc2)cc1

nearest known ligand 0.38

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
PPARG P37231 4/20 0.38
PPARA Q07869 4/20 0.38
MEN1 O00255 2/20 0.36
KMT2A Q03164 2/20 0.36
PKM P14618 1/20 0.36
SLC1A5 Q15758 1/20 0.35
AAK1 Q2M2I8 1/20 0.34
ITGA4 P13612 1/20 0.34
ITGB7 P26010 1/20 0.34
NPC1 O15118 1/20 0.34
RAB9A P51151 1/20 0.34
PPARD Q03181 2/20 0.34
F2 P00734 1/20 0.34
LTA4H P09960 1/20 0.34
EPHX1 P07099 3/20 0.33
LMNA P02545 1/20 0.33

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
SCHEMBL5414322 0.78 HCAR2 (0.39) MEN1KMT2AAAK1ITGA4ITGB7
SCHEMBL8071393 0.76 KMT2A (0.41) MEN1KMT2APKMAAK1LTA4H
SCHEMBL5711181 0.76 KMT2A (0.41) MEN1KMT2APKMAAK1LTA4H
SCHEMBL7339294 0.75 PSMB5 (0.39) PPARGPPARAMEN1KMT2APKM
SCHEMBL7369978 0.70 PPARA (0.49) PPARGPPARAMEN1KMT2APKM
SCHEMBL7369981 0.70 PPARA (0.49) PPARGPPARAMEN1KMT2APKM
SCHEMBL7332660 0.70 MEN1 (0.34) PPARGPPARAMEN1KMT2APKM
SCHEMBL6896070 0.70 DPP4 (0.43) KMT2APKMAAK1LMNA
SCHEMBL15630763 0.70 DPP4 (0.43) KMT2APKMAAK1LMNA
SCHEMBL1624875 0.70 DPP4 (0.48) MEN1KMT2APKMAAK1LTA4H

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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