SCHEMBL22883188

SCHEMBL22883188

CC(C)(C)OC(=O)N[C@@H](Cc1ccc(O)cc1)C(O)O

nearest known ligand 0.57

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
CTSS P25774 6/20 0.57
CTSK P43235 5/20 0.57
KLK5 Q9Y337 3/20 0.50
ATM Q13315 1/20 0.46
CTSL P07711 1/20 0.44
CTSB P07858 1/20 0.44
CA1 P00915 1/20 0.44
CA2 P00918 1/20 0.44
CA7 P43166 1/20 0.44
PPARA Q07869 1/20 0.43
ITGB3 P05106 1/20 0.43
ITGA2B P08514 1/20 0.43
ACE P12821 1/20 0.43
MIF P14174 1/20 0.43
ESR1 P03372 1/20 0.42
ESR2 Q92731 1/20 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
SCHEMBL19144280 0.87 KLK5 (0.49) CTSSCTSKKLK5ATMCTSL
SCHEMBL6158011 0.87 CTSS (0.53) CTSSCTSKKLK5ATMCTSL
SCHEMBL23328949 0.85 CTSS (0.52) CTSSCTSKKLK5ATMCTSL
SCHEMBL7422441 0.83 CTSS (0.56) CTSSCTSKKLK5ATMCTSL
SCHEMBL13617752 0.82 KLK5 (0.49) CTSSCTSKKLK5ATM
SCHEMBL8543180 0.82 CTSS (0.60) CTSSCTSKATMCTSLCTSB
SCHEMBL13446081 0.82 CTSS (0.60) CTSSCTSKATMCTSLCTSB
SCHEMBL13448424 0.81 KLK5 (0.51) CTSSCTSKKLK5ATMCA1
SCHEMBL13413560 0.81 KLK5 (0.51) CTSSCTSKKLK5ATMCA1
SCHEMBL27759656 0.81 CTSS (0.58) CTSSCTSKATMCTSLCTSB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3763735-A1 METHOD FOR PREPARING BIOMATERIAL HAVING SELECTIVELY FUNCTIONALIZED TYROSINE, BIOMATERIAL HAVING SELECTIVELY FUNCTIONALIZED TYROSINE, AND PHARMACEUTICAL COMPOSITION CONTAINING SAME AS ACTIVE INGREDIENT Seoul National University R & DB Foundation (KR) 2021-01-13 EP disclosed