SCHEMBL27548321

SCHEMBL27548321

CC(C(=O)Oc1ccc([N+](=O)[O-])cc1)N(C)C(=O)OC(C)(C)C

nearest known ligand 0.56

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
GAA P10253 2/20 0.56
ALDH1A1 P00352 4/20 0.49
SMN1; SMN2 Q16637 1/20 0.49
HTR2A P28223 1/20 0.44
BCL9 O00512 1/20 0.44
CTNNB1 P35222 1/20 0.44
ACHE P22303 2/20 0.42
SLC6A4 P31645 2/20 0.42
MAPT P10636 2/20 0.41
LMNA P02545 1/20 0.41
PKM P14618 1/20 0.40
KMT2A Q03164 1/20 0.40
MGLL Q99685 1/20 0.40
KDM4E B2RXH2 1/20 0.40

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
SCHEMBL27548338 0.88 GAA (0.50) GAAALDH1A1SMN1; SMN2HTR2ABCL9
SCHEMBL11570078 0.83 ALDH1A1 (0.55) GAAALDH1A1SMN1; SMN2HTR2ABCL9
SCHEMBL3047730 0.81 GAA (0.52) GAAALDH1A1SMN1; SMN2HTR2ABCL9
SCHEMBL2259153 0.81 GAA (0.43) GAAALDH1A1SMN1; SMN2HTR2ABCL9
SCHEMBL2259151 0.81 GAA (0.43) GAAALDH1A1SMN1; SMN2HTR2ABCL9
SCHEMBL3047732 0.81 GAA (0.49) GAAALDH1A1SMN1; SMN2HTR2ABCL9
SCHEMBL28082195 0.81 ATM (0.49) ALDH1A1SMN1; SMN2ACHEMAPTPKM
SCHEMBL11718169 0.81 GAA (0.46) GAAALDH1A1SMN1; SMN2HTR2ABCL9
SCHEMBL29401387 0.78 MAPT (0.55) GAAALDH1A1SMN1; SMN2HTR2ABCL9
SCHEMBL2390983 0.78 MAPT (0.55) GAAALDH1A1SMN1; SMN2HTR2ABCL9

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
CN-1289498-C 1-methylcarbapenem derivatives SANKYO CO (JP) 2006-12-13 CN disclosed
CN-1486317-A 1-methylcarbapenem derivatives ������������ʽ���� 2004-03-31 CN disclosed