SCHEMBL4598131

SCHEMBL4598131

COCCN(C)C(=O)[C@H](NC(=O)OC(C)(C)C)c1ccccc1

nearest known ligand 0.54

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
CTSK P43235 5/20 0.54
CTSS P25774 1/20 0.54
OPRK1 P41145 1/20 0.43
MAPT P10636 1/20 0.43
ATM Q13315 2/20 0.42
KDM4E B2RXH2 1/20 0.42
JAK3 P52333 1/20 0.41
BTK Q06187 1/20 0.41
KCNK3 O14649 1/20 0.41
PPARG P37231 1/20 0.41
TACR1 P25103 1/20 0.40
TACR3 P29371 1/20 0.40

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
SCHEMBL4981744 0.83 CTSS (0.56) CTSKCTSSATMPPARG
SCHEMBL27601240 0.83 CTSS (0.56) CTSKCTSSATMPPARG
SCHEMBL4981754 0.83 CTSS (0.56) CTSKCTSSATMPPARG
SCHEMBL8351861 0.82 CTSK (0.60) CTSKCTSSOPRK1MAPTATM
SCHEMBL2376080 0.81 CTSS (0.56) CTSKCTSSATMPPARG
SCHEMBL2376072 0.81 CTSS (0.56) CTSKCTSSATMPPARG
SCHEMBL90836 0.81 CTSK (0.56) CTSKCTSSOPRK1MAPTATM
SCHEMBL16847362 0.81 CTSK (0.56) CTSKCTSSOPRK1MAPTATM
SCHEMBL5873385 0.79 CTSK (0.60) CTSKCTSSOPRK1MAPTATM
SCHEMBL4788125 0.78 TDP1 (0.59) CTSKCTSS

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-1924265-A2 CHEMOKINE RECEPTOR BINDING COMPOUNDS Genzyme Corporation (US) 2008-05-28 EP disclosed
WO-2007022371-A2 CHEMOKINE RECEPTOR BINDING COMPOUNDS GENZYME CORPORATION (US) 2007-02-22 WO disclosed