SCHEMBL8095057

SCHEMBL8095057

COc1ccc(CS[C@H]2C[C@@H](C(O)CC(=O)O)N(C(=O)OCc3ccc([N+](=O)[O-])cc3)C2)cc1

nearest known ligand 0.41

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
GAA P10253 3/20 0.41
ALDH1A1 P00352 4/20 0.40
MAPK1 P28482 2/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
SMN1; SMN2 Q16637 2/20 0.39
MAPT P10636 2/20 0.39
KCNJ1 P48048 1/20 0.37
KCNH2 Q12809 1/20 0.37
HTR2A P28223 1/20 0.37
SLC6A2 P23975 1/20 0.37
SLC6A4 P31645 1/20 0.37
SLC6A3 Q01959 1/20 0.37
RAB9A P51151 2/20 0.36
KMT2A Q03164 2/20 0.36
MEN1 O00255 1/20 0.36
NPC1 O15118 1/20 0.36
TDP1 Q9NUW8 1/20 0.35
HPGD P15428 1/20 0.35
HTT P42858 1/20 0.35

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
SCHEMBL8102848 1.00 GAA (0.41) GAAALDH1A1MAPK1L3MBTL1SMN1; SMN2
SCHEMBL8109010 1.00 GAA (0.41) GAAALDH1A1MAPK1L3MBTL1SMN1; SMN2
SCHEMBL8104773 0.91 GAA (0.42) GAAALDH1A1MAPK1L3MBTL1SMN1; SMN2
SCHEMBL8110549 0.85 GAA (0.43) GAAALDH1A1MAPK1L3MBTL1SMN1; SMN2
SCHEMBL6945003 0.85 GAA (0.44) GAAALDH1A1MAPK1L3MBTL1SMN1; SMN2
SCHEMBL8104715 0.85 GAA (0.44) GAAALDH1A1MAPK1L3MBTL1SMN1; SMN2
SCHEMBL8102902 0.85 GAA (0.44) GAAALDH1A1MAPK1L3MBTL1SMN1; SMN2
SCHEMBL8535538 0.84 SMN1; SMN2 (0.41) GAAALDH1A1MAPK1L3MBTL1SMN1; SMN2
SCHEMBL8104565 0.84 SMN1; SMN2 (0.41) GAAALDH1A1MAPK1L3MBTL1SMN1; SMN2
Hydrochloric Acid SCHEMBL6940954 0.84 GAA (0.43) GAAALDH1A1MAPK1L3MBTL1SMN1; SMN2

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
US-6090802-A BACTERICIDE SANKYO COMPANY, LIMITED (JP) 2000-07-18 US disclosed
EP-0882728-A1 1-METHYLCARBAPENEM DERIVATIVES SANKYO COMPANY LIMITED (JP) 1998-12-09 EP disclosed