SCHEMBL6135598

SCHEMBL6135598

CN(C)C(=O)C(CC(N)=O)SCc1ccccc1

nearest known ligand 0.41

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
EPHX1 P07099 8/20 0.40
MMP9 P14780 1/20 0.39
MMP8 P22894 1/20 0.39
MMP14 P50281 1/20 0.39
POLB P06746 2/20 0.38
SMN1; SMN2 Q16637 2/20 0.38
PPARG P37231 1/20 0.38
PPARA Q07869 1/20 0.38
ALDH1A1 P00352 1/20 0.38
CYP2C9 P11712 1/20 0.38
CYP2C19 P33261 1/20 0.38
IDO1 P14902 1/20 0.38
NOS3 P29474 1/20 0.38
NOS1 P29475 1/20 0.38
NOS2 P35228 1/20 0.38
ATM Q13315 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.37
HPGD P15428 1/20 0.37

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
SCHEMBL9855072 0.83 ALDH1A1 (0.49) EPHX1POLBSMN1; SMN2PPARGPPARA
SCHEMBL9854860 0.83 ALDH1A1 (0.49) EPHX1POLBSMN1; SMN2PPARGPPARA
SCHEMBL9854865 0.83 ALDH1A1 (0.49) EPHX1POLBSMN1; SMN2PPARGPPARA
SCHEMBL8896347 0.71 EPHX1 (0.49) EPHX1POLBSMN1; SMN2PPARGPPARA
SCHEMBL24513227 0.70 MMP9 (0.50) MMP9MMP8MMP14POLBALDH1A1
SCHEMBL6576148 0.70 CYP2C19 (0.43) POLBSMN1; SMN2PPARGPPARAALDH1A1
Ethylamine SCHEMBL11235220 0.70 CYP2C19 (0.63) EPHX1POLBSMN1; SMN2PPARGPPARA
SCHEMBL7050743 0.69 POLB (0.51) POLBSMN1; SMN2PPARGPPARAALDH1A1
SCHEMBL7873176 0.69 EPHX1 (0.70) EPHX1POLBSMN1; SMN2ALDH1A1CYP2C9
SCHEMBL7540831 0.69 CYP2C19 (0.63) POLBSMN1; SMN2PPARGPPARAALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6908911-B1 Antibacterial agents BRITISH BIOTECH PHARMACEUTICALS LIMITED (GB) 2005-06-21 US claimed
EP-1210330-B1 ANTIBACTERIAL AGENTS VERNALIS OXFORD LTD (GB) 2005-04-20 EP claimed
EP-1210330-A1 ANTIBACTERIAL AGENTS BRITISH BIOTECH PHARMACEUTICALS LIMITED (GB) 2002-06-05 EP claimed
WO-2001010835-A1 ANTIBACTERIAL AGENTS BRITISH BIOTECH PHARMACEUTICALS LIMITED (GB) 2001-02-15 WO claimed
US-6908911-B1 Antibacterial agents BRITISH BIOTECH PHARMACEUTICALS LIMITED (GB) 2005-06-21 US disclosed
EP-1210330-B1 ANTIBACTERIAL AGENTS VERNALIS OXFORD LTD (GB) 2005-04-20 EP disclosed
EP-1210330-A1 ANTIBACTERIAL AGENTS BRITISH BIOTECH PHARMACEUTICALS LIMITED (GB) 2002-06-05 EP disclosed
WO-2001010835-A1 ANTIBACTERIAL AGENTS BRITISH BIOTECH PHARMACEUTICALS LIMITED (GB) 2001-02-15 WO disclosed