SCHEMBL7339735

SCHEMBL7339735

CC(C)(C)OC(=O)N1C(=O)[C@H](Cc2ccccc2)[C@H](O)[C@H]1CC1CCCCC1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KLK7 P49862 8/20 0.43
KLK5 Q9Y337 7/20 0.41
FOLH1 Q04609 2/20 0.40
PRSS1 P07477 3/20 0.39
PRSS2 P07478 3/20 0.39
PRSS3 P35030 3/20 0.39
STS P08842 1/20 0.39
CA12 O43570 1/20 0.38
CA1 P00915 1/20 0.38
CA7 P43166 1/20 0.38
CA14 Q9ULX7 1/20 0.38
PLA2G10 O15496 1/20 0.37
PLA2G5 P39877 1/20 0.37
KDM4E B2RXH2 1/20 0.36
PKM P14618 1/20 0.36
PDE4A P27815 1/20 0.36
PDE4B Q07343 1/20 0.36
PDE4C Q08493 1/20 0.36
PDE4D Q08499 1/20 0.36
REN P00797 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
SCHEMBL7340302 0.78 KLK7 (0.43) KLK7KLK5FOLH1PRSS1PRSS2
SCHEMBL5963373 0.78 EPHX1 (0.37) KDM4EPKMPDE4APDE4BPDE4C
SCHEMBL7342074 0.77 KLK7 (0.42) KLK7KLK5FOLH1PRSS1PRSS2
SCHEMBL7425312 0.76 FOLH1 (0.46) KLK7FOLH1
SCHEMBL7333694 0.75 KLK7 (0.42) KLK7KLK5FOLH1PRSS1PRSS2
SCHEMBL7340433 0.72 CHRM2 (0.41) KDM4EPKMKMT2A
SCHEMBL10386719 0.71 KLK7 (0.51) KLK7KLK5PRSS1PRSS2PRSS3
SCHEMBL10387738 0.71 KLK7 (0.51) KLK7KLK5PRSS1PRSS2PRSS3
SCHEMBL7334611 0.71 KLK7 (0.51) KLK7KLK5PRSS1PRSS2PRSS3
SCHEMBL20734817 0.71 KLK7 (0.47) KLK7KLK5PRSS1PRSS2PRSS3

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 8 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-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