SCHEMBL6135327

SCHEMBL6135327

CC(C)(CNC(=O)OCc1ccccc1)CC(=O)O

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTT P42858 1/20 0.58
SMN1; SMN2 Q16637 2/20 0.54
LMNA P02545 1/20 0.54
KCNA5 P22460 1/20 0.49
TGM2 P21980 1/20 0.49
L3MBTL1 Q9Y468 2/20 0.48
KEAP1 Q14145 2/20 0.48
NFE2L2 Q16236 2/20 0.48
NPC1 O15118 1/20 0.48
RAB9A P51151 1/20 0.48
ALDH1A1 P00352 1/20 0.47
SYK P43405 1/20 0.47
MAPT P10636 1/20 0.47
CTSL P07711 2/20 0.46
CTSB P07858 2/20 0.46
CTSS P25774 2/20 0.46
SLC6A2 P23975 1/20 0.46
SLC6A3 Q01959 1/20 0.46
KMT2A Q03164 1/20 0.46
TDP1 Q9NUW8 1/20 0.46

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
SCHEMBL1610723 0.89 SMN1; SMN2 (0.51) HTTSMN1; SMN2LMNAKCNA5L3MBTL1
SCHEMBL21985416 0.87 SMN1; SMN2 (0.55) HTTSMN1; SMN2LMNAKCNA5TGM2
SCHEMBL292084 0.87 SMN1; SMN2 (0.55) HTTSMN1; SMN2LMNAKCNA5TGM2
SCHEMBL25281617 0.86 HTT (0.59) HTTSMN1; SMN2LMNAKCNA5L3MBTL1
SCHEMBL1610973 0.85 SMN1; SMN2 (0.48) HTTSMN1; SMN2LMNAKCNA5TGM2
SCHEMBL13741500 0.84 SMN1; SMN2 (0.59) HTTSMN1; SMN2LMNATGM2L3MBTL1
SCHEMBL19527405 0.84 SMN1; SMN2 (0.52) HTTSMN1; SMN2LMNAKCNA5L3MBTL1
SCHEMBL25448079 0.83 PPID (0.46) HTTSMN1; SMN2LMNAKCNA5L3MBTL1
SCHEMBL18002248 0.83 SMN1; SMN2 (0.58) HTTSMN1; SMN2LMNATGM2L3MBTL1
SCHEMBL19527210 0.83 SMN1; SMN2 (0.51) HTTSMN1; SMN2LMNAKCNA5L3MBTL1

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 4 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 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