SCHEMBL8575147

SCHEMBL8575147

COc1ccc(CS[C@H]2C[C@@H](C(=O)N3CC(N)C3)N(C(=O)OCc3ccc([N+](=O)[O-])cc3)C2)cc1

nearest known ligand 0.41

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
GAA P10253 1/20 0.41
ALDH1A1 P00352 5/20 0.40
MAPK1 P28482 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
MAPT P10636 3/20 0.39
SMN1; SMN2 Q16637 2/20 0.39
KCNJ1 P48048 1/20 0.37
KCNH2 Q12809 1/20 0.37
HTRA1 Q92743 1/20 0.36
NPFFR1 Q9GZQ6 1/20 0.35
NPFFR2 Q9Y5X5 1/20 0.35
SLC6A2 P23975 1/20 0.35
SLC6A4 P31645 1/20 0.35
SLC6A3 Q01959 1/20 0.35
HTT P42858 1/20 0.35
RAB9A P51151 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
Hydrochloric Acid SCHEMBL8579624 0.99 GAA (0.40) GAAALDH1A1MAPK1L3MBTL1MAPT
SCHEMBL8438306 0.94 ALDH1A1 (0.41) GAAALDH1A1MAPK1L3MBTL1MAPT
SCHEMBL8438310 0.94 ALDH1A1 (0.41) GAAALDH1A1MAPK1L3MBTL1MAPT
Hydrochloric Acid SCHEMBL8438116 0.93 ALDH1A1 (0.41) GAAALDH1A1MAPK1L3MBTL1MAPT
Hydrochloric Acid SCHEMBL8438115 0.93 ALDH1A1 (0.41) GAAALDH1A1MAPK1L3MBTL1MAPT
Hydrochloric Acid SCHEMBL8438164 0.93 ALDH1A1 (0.41) GAAALDH1A1MAPK1L3MBTL1MAPT
SCHEMBL8607827 0.90 ALDH1A1 (0.40) GAAALDH1A1MAPK1L3MBTL1MAPT
SCHEMBL8577735 0.90 ALDH1A1 (0.40) GAAALDH1A1MAPK1L3MBTL1MAPT
SCHEMBL9127639 0.89 KCNJ1 (0.41) GAAALDH1A1MAPK1L3MBTL1MAPT
SCHEMBL8578872 0.89 SMN1; SMN2 (0.41) 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-5712267-A Carbapenem derivatives, their preparation and their use as antibiotics SANKYO COMPANY,. LIMITED (JP) 1998-01-27 US disclosed
EP-0560613-A1 Antimicrobial carbapenem derivatives, their preparation and their therapeutic use SANKYO COMPANY LIMITED (JP) 1993-09-15 EP disclosed