SCHEMBL8104670

SCHEMBL8104670

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

nearest known ligand 0.41

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
GAA P10253 1/20 0.41
ALDH1A1 P00352 6/20 0.39
MAPK1 P28482 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
MAPT P10636 3/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
CCR5 P51681 2/20 0.36
KCNJ1 P48048 1/20 0.36
KCNH2 Q12809 1/20 0.36
SLC6A2 P23975 1/20 0.36
SLC6A4 P31645 1/20 0.36
SLC6A3 Q01959 1/20 0.36
LMNA P02545 1/20 0.35
HTT P42858 1/20 0.35
NCOA1 Q15788 1/20 0.35
NCOA3 Q9Y6Q9 1/20 0.35
HPGD P15428 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
SCHEMBL8104678 1.00 GAA (0.41) GAAALDH1A1MAPK1L3MBTL1MAPT
SCHEMBL8104456 0.90 GAA (0.41) GAAALDH1A1MAPK1L3MBTL1MAPT
SCHEMBL8104460 0.90 GAA (0.41) GAAALDH1A1MAPK1L3MBTL1MAPT
SCHEMBL8095363 0.88 GAA (0.44) GAAALDH1A1MAPK1L3MBTL1MAPT
SCHEMBL8102902 0.83 GAA (0.44) GAAALDH1A1MAPK1L3MBTL1MAPT
SCHEMBL8104715 0.83 GAA (0.44) GAAALDH1A1MAPK1L3MBTL1MAPT
SCHEMBL9020258 0.81 ALDH1A1 (0.42) GAAALDH1A1MAPK1L3MBTL1MAPT
SCHEMBL5401344 0.81 HTRA1 (0.37) GAAALDH1A1MAPK1L3MBTL1SMN1; SMN2
SCHEMBL6945003 0.81 GAA (0.44) GAAALDH1A1MAPK1L3MBTL1MAPT
SCHEMBL6940950 0.81 GAA (0.44) GAAALDH1A1MAPK1L3MBTL1MAPT

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