SCHEMBL7340302

SCHEMBL7340302

CC(C)(C)OC(=O)N1C(=O)[C@H](Cc2ccc3ccccc3c2)[C@H](O)[C@H]1Cc1ccccc1

nearest known ligand 0.43

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
KLK7 P49862 8/20 0.43
KLK5 Q9Y337 7/20 0.41
FOLH1 Q04609 3/20 0.40
PRSS1 P07477 3/20 0.39
PRSS2 P07478 3/20 0.39
PRSS3 P35030 3/20 0.39
HDAC6 Q9UBN7 1/20 0.38
CTSB P07858 1/20 0.37
CTSS P25774 1/20 0.37
CTSK P43235 1/20 0.37
NR1H2 P55055 2/20 0.36
NR1H3 Q13133 1/20 0.36
KLK3 P07288 1/20 0.35

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
SCHEMBL7333694 0.83 KLK7 (0.42) KLK7KLK5FOLH1PRSS1PRSS2
SCHEMBL7342074 0.83 KLK7 (0.42) KLK7KLK5FOLH1PRSS1PRSS2
SCHEMBL7339735 0.78 KLK7 (0.43) KLK7KLK5FOLH1PRSS1PRSS2
SCHEMBL7697794 0.74 KLK7 (0.39) KLK7KLK5PRSS1PRSS2PRSS3
SCHEMBL7697791 0.74 KLK7 (0.39) KLK7KLK5PRSS1PRSS2PRSS3
SCHEMBL20734915 0.73 KLK7 (0.47) KLK7KLK5PRSS1PRSS2PRSS3
SCHEMBL20734906 0.73 KLK7 (0.47) KLK7KLK5PRSS1PRSS2PRSS3
SCHEMBL30387509 0.72 FKBP1A (0.39) KLK7FOLH1KLK3
SCHEMBL10386719 0.71 KLK7 (0.51) KLK7KLK5PRSS1PRSS2PRSS3
SCHEMBL10387738 0.71 KLK7 (0.51) 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