SCHEMBL7369978

SCHEMBL7369978

Cc1ccc(C/C=C/C(Cc2ccccc2)NC(=O)OC(C)(C)C)cc1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PPARA Q07869 5/20 0.49
PPARG P37231 4/20 0.49
ATM Q13315 1/20 0.49
ACE P12821 1/20 0.48
CTSS P25774 3/20 0.47
CTSK P43235 2/20 0.47
CTSL P07711 1/20 0.47
CTSB P07858 1/20 0.47
REN P00797 1/20 0.47
PPARD Q03181 2/20 0.45
ALDH1A1 P00352 4/20 0.44
APP P05067 1/20 0.44
LMNA P02545 3/20 0.43
PKM P14618 3/20 0.43
HPGD P15428 3/20 0.43
HTT P42858 3/20 0.43
NPSR1 Q6W5P4 3/20 0.43
TSHR P16473 2/20 0.43
HSD17B10 Q99714 2/20 0.43
TP53 P04637 1/20 0.43

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
SCHEMBL7369981 1.00 PPARA (0.49) PPARAPPARGATMACECTSS
SCHEMBL6447409 0.94 ATM (0.54) PPARAPPARGATMACECTSS
SCHEMBL6447414 0.94 ATM (0.54) PPARAPPARGATMACECTSS
SCHEMBL2736190 0.87 ATM (0.61) PPARAPPARGATMACECTSS
SCHEMBL12137049 0.87 ATM (0.61) PPARAPPARGATMACECTSS
SCHEMBL13286607 0.84 ATM (0.54) PPARAPPARGATMACECTSS
SCHEMBL10548656 0.84 ATM (0.54) PPARAPPARGATMACECTSS
SCHEMBL8030523 0.84 ATM (0.54) PPARAPPARGATMACECTSS
SCHEMBL10378293 0.84 REN (0.53) PPARAPPARGATMACECTSS
SCHEMBL10378294 0.84 REN (0.53) PPARAPPARGATMACECTSS

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