SCHEMBL4598462

SCHEMBL4598462

CC(C)(C)OC(=O)NC[C@@H](N)c1cccc(F)c1

nearest known ligand 0.46

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
CTSS P25774 2/20 0.46
CTSK P43235 2/20 0.46
GBA1 P04062 1/20 0.41
HDAC4 P56524 1/20 0.40
HDAC7 Q8WUI4 1/20 0.40
HDAC5 Q9UQL6 1/20 0.40
SYK P43405 1/20 0.40
GPR119 Q8TDV5 1/20 0.39
OPRM1 P35372 3/20 0.39
LMNA P02545 1/20 0.39
TSHR P16473 1/20 0.39
PPARG P37231 1/20 0.39
NCOA2 Q15596 1/20 0.39
NCOA1 Q15788 1/20 0.39
NCOA3 Q9Y6Q9 1/20 0.39
OPRL1 P41146 3/20 0.39
AAK1 Q2M2I8 1/20 0.39

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
SCHEMBL14870380 1.00 CTSS (0.46) CTSSCTSKGBA1HDAC4HDAC7
SCHEMBL21509870 0.86 POLB (0.41) CTSSCTSKSYKAAK1
SCHEMBL10448435 0.86 POLB (0.41) CTSSCTSKSYKAAK1
SCHEMBL16690871 0.85 AAK1 (0.48) CTSSCTSKGBA1SYKAAK1
SCHEMBL4597442 0.85 CTSL (0.46) CTSSCTSKSYKAAK1
SCHEMBL10319148 0.85 CTSL (0.46) CTSSCTSKSYKAAK1
SCHEMBL4597840 0.85 CTSL (0.46) CTSSCTSKSYKAAK1
SCHEMBL28076446 0.85 AAK1 (0.48) CTSSCTSKGBA1SYKAAK1
SCHEMBL970153 0.84 CTSS (0.44) CTSSCTSKSYKAAK1
SCHEMBL28763012 0.84 CTSS (0.44) CTSSCTSKSYKAAK1

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