SCHEMBL8540916

SCHEMBL8540916

COc1ccc(CS[C@H]2C[C@@H](C(=O)N3CCN(C(=N)NC(=O)OCc4ccc([N+](=O)[O-])cc4)CC3)N(C)C2)cc1

nearest known ligand 0.42

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
GAA P10253 2/20 0.42
MAPT P10636 5/20 0.40
LMNA P02545 2/20 0.40
TDP1 Q9NUW8 1/20 0.40
ALDH1A1 P00352 6/20 0.39
MAPK1 P28482 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
SMN1; SMN2 Q16637 4/20 0.39
KCNJ1 P48048 1/20 0.38
KCNH2 Q12809 1/20 0.38
RAB9A P51151 1/20 0.36
DPP8 Q6V1X1 1/20 0.36
DPP9 Q86TI2 1/20 0.36
PKM P14618 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
SCHEMBL8436497 0.91 GAA (0.39) GAAMAPTLMNATDP1ALDH1A1
SCHEMBL8576659 0.87 GAA (0.43) GAAMAPTALDH1A1MAPK1L3MBTL1
SCHEMBL9574300 0.87 GAA (0.43) GAAMAPTALDH1A1MAPK1L3MBTL1
SCHEMBL8436470 0.87 GAA (0.41) GAAMAPTALDH1A1MAPK1L3MBTL1
SCHEMBL7453992 0.84 GAA (0.42) GAAMAPTALDH1A1MAPK1L3MBTL1
SCHEMBL7453985 0.84 GAA (0.42) GAAMAPTALDH1A1MAPK1L3MBTL1
SCHEMBL8435893 0.84 DPP8 (0.41) MAPTLMNATDP1ALDH1A1SMN1; SMN2
SCHEMBL8578475 0.83 GAA (0.45) GAAMAPTALDH1A1MAPK1L3MBTL1
SCHEMBL8095140 0.82 GAA (0.38) GAAMAPTALDH1A1MAPK1L3MBTL1
SCHEMBL8095133 0.82 GAA (0.38) GAAMAPTALDH1A1MAPK1L3MBTL1

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0560613-B1 Antimicrobial carbapenem derivatives, their preparation and their therapeutic use SANKYO CO (JP) 1998-11-25 EP disclosed
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