SCHEMBL6028330

SCHEMBL6028330

COC(=O)C(C)Cc1cccc(CC(C)NC(=O)OC(C)(C)C)c1

nearest known ligand 0.48

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
KLK5 Q9Y337 2/20 0.48
CTSS P25774 6/20 0.46
CTSK P43235 5/20 0.46
CTSB P07858 4/20 0.46
CTSL P07711 2/20 0.45
ATM Q13315 1/20 0.44
ACE P12821 1/20 0.44
NPC1 O15118 1/20 0.41
RAB9A P51151 1/20 0.41
PSEN1 P49768 2/20 0.41
PSEN2 P49810 2/20 0.41
APH1B Q8WW43 2/20 0.41
NCSTN Q92542 2/20 0.41
APH1A Q96BI3 2/20 0.41
PSENEN Q9NZ42 2/20 0.41
CA2 P00918 1/20 0.41
BCHE P06276 2/20 0.41
ACHE P22303 2/20 0.41

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
SCHEMBL2141200 0.86 CTSS (0.48) KLK5CTSSCTSKCTSBCTSL
SCHEMBL2141206 0.86 CTSS (0.48) KLK5CTSSCTSKCTSBCTSL
SCHEMBL3626929 0.85 SLC7A5 (0.54) KLK5CTSSCTSKCTSBCTSL
SCHEMBL6046349 0.85 SLC7A5 (0.54) KLK5CTSSCTSKCTSBCTSL
SCHEMBL13807452 0.85 SLC7A5 (0.54) KLK5CTSSCTSKCTSBCTSL
SCHEMBL3621416 0.84 CTSS (0.49) KLK5CTSSCTSKCTSBCTSL
SCHEMBL4276615 0.84 CTSS (0.49) KLK5CTSSCTSKCTSBCTSL
SCHEMBL31407583 0.84 CACNA1B (0.52) CTSSCTSKCTSBCTSLBCHE
SCHEMBL23900516 0.83 JAK2 (0.50) KLK5CTSSCTSKCTSBCTSL
SCHEMBL21799327 0.82 CTSL (0.64) KLK5CTSSCTSKCTSBCTSL

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
EP-1716150-A2 SUBSTITUTED HETEROCYCLIC COMPOUNDS AND METHODS OF USE AMGEN INC. (US) 2006-11-02 EP disclosed
WO-2005070932-A2 SUBSTITUTED HETEROCYCLIC COMPOUNDS AND METHODS OF USE AMGEN INC. (US) 2005-08-04 WO disclosed