SCHEMBL2910539

SCHEMBL2910539

C=CCCN(CCO)C(=O)[C@@H](CNC(=O)OC(C)(C)C)OCc1ccccc1

nearest known ligand 0.45

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
SYK P43405 1/20 0.45
USP2 O75604 2/20 0.43
AKT1 P31749 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
CTSS P25774 2/20 0.37
CTSL P07711 1/20 0.37
CTSB P07858 1/20 0.37
PPARA Q07869 1/20 0.37
ATM Q13315 1/20 0.36
PAX8 Q06710 1/20 0.36
IDO1 P14902 1/20 0.36

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
SCHEMBL2909574 1.00 SYK (0.45) SYKUSP2AKT1L3MBTL1CTSS
SCHEMBL1341914 0.80 PPARA (0.57) USP2L3MBTL1CTSSPPARA
SCHEMBL1343633 0.80 PPARA (0.57) USP2L3MBTL1CTSSPPARA
SCHEMBL2598790 0.78 SYK (0.59) SYKAKT1L3MBTL1CTSSCTSL
SCHEMBL12183918 0.77 SYK (0.52) SYKAKT1CTSSCTSLCTSB
SCHEMBL2597798 0.76 SYK (0.63) SYKL3MBTL1CTSSPPARAATM
SCHEMBL12471858 0.76 SYK (0.57) SYKAKT1CTSSCTSLCTSB
SCHEMBL29662650 0.73 CTSS (0.42) SYKAKT1L3MBTL1CTSSCTSL
SCHEMBL5724472 0.73 SYK (0.59) SYKAKT1CTSSCTSLCTSB
SCHEMBL4273683 0.72 SYK (0.58) SYKAKT1CTSSCTSLCTSB

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-2220055-A2 NOVEL HETEROCYCLYL COMPOUNDS AND THEIR USE AS CHEMOKINE ANTAGONISTS F. Hoffmann-La Roche AG (CH) 2010-08-25 EP disclosed
WO-2009010429-A2 NOVEL HETEROCYCLYL COMPOUNDS AND THEIR USE AS CHEMOKINE ANTAGONISTS F. HOFFMANN-LA ROCHE AG (CH) 2009-01-22 WO disclosed