SCHEMBL8008614

SCHEMBL8008614

COC(=O)[C@H](Cc1ccc(OC(=O)OC(C)(C)C)c(O)c1)NC(=O)OC(C)(C)C

nearest known ligand 0.49

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
KLK5 Q9Y337 1/20 0.49
LCK P06239 1/20 0.48
CTSS P25774 10/20 0.45
CTSK P43235 9/20 0.45
CTSB P07858 4/20 0.44
ITGB3 P05106 1/20 0.43
ITGA2B P08514 1/20 0.43
ACE P12821 1/20 0.43
PTPN1 P18031 2/20 0.42
EPHX2 P34913 1/20 0.42
TACR1 P25103 1/20 0.42
CTSL P07711 2/20 0.42

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
SCHEMBL15711996 0.91 KLK5 (0.49) KLK5LCKCTSSCTSKCTSB
SCHEMBL3013717 0.86 LCK (0.64) KLK5LCKCTSSCTSKCTSB
SCHEMBL3013721 0.86 LCK (0.64) KLK5LCKCTSSCTSKCTSB
SCHEMBL10099992 0.84 KLK5 (0.53) KLK5LCKCTSSCTSKCTSB
SCHEMBL3646270 0.83 KLK5 (0.56) KLK5CTSSCTSKCTSBACE
SCHEMBL3646266 0.83 KLK5 (0.56) KLK5CTSSCTSKCTSBACE
SCHEMBL30765061 0.83 KLK5 (0.52) KLK5LCKCTSSCTSKCTSB
SCHEMBL27125012 0.83 KLK5 (0.52) KLK5LCKCTSSCTSKCTSB
SCHEMBL24476991 0.83 KLK5 (0.52) KLK5LCKCTSSCTSKCTSB
SCHEMBL5786508 0.83 KLK5 (0.52) KLK5LCKCTSSCTSKCTSB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8722923-B2 Conjugates for treating neurodegenerative diseases and disorders RAMOT AT TEL-AVIV UNIVERSITY LTD. (IL) 2014-05-13 US disclosed
WO-2009101616-A9 NOVEL CONJUGATES FOR TREATING NEURODEGENERATIVE DISEASES AND DISORDERS RAMOT AT TEL AVIV UNIVERSITY LTD. (IL) 2010-06-24 WO disclosed