SCHEMBL8438306

SCHEMBL8438306

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

nearest known ligand 0.41

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.41
MAPT P10636 2/20 0.39
SMN1; SMN2 Q16637 2/20 0.39
GAA P10253 1/20 0.39
MAPK1 P28482 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
GRIN2B Q13224 1/20 0.38
KCNJ1 P48048 1/20 0.37
KCNH2 Q12809 1/20 0.37
SLC6A2 P23975 1/20 0.35
SLC6A4 P31645 1/20 0.35
SLC6A3 Q01959 1/20 0.35
MMP1 P03956 1/20 0.35
MMP2 P08253 1/20 0.35
MMP3 P08254 1/20 0.35
MMP7 P09237 1/20 0.35
MMP9 P14780 1/20 0.35
MMP8 P22894 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
SCHEMBL8438310 1.00 ALDH1A1 (0.41) ALDH1A1MAPTSMN1; SMN2GAAMAPK1
Hydrochloric Acid SCHEMBL8438115 0.99 ALDH1A1 (0.41) ALDH1A1MAPTSMN1; SMN2GAAMAPK1
Hydrochloric Acid SCHEMBL8438164 0.99 ALDH1A1 (0.41) ALDH1A1MAPTSMN1; SMN2GAAMAPK1
Hydrochloric Acid SCHEMBL8438116 0.99 ALDH1A1 (0.41) ALDH1A1MAPTSMN1; SMN2GAAMAPK1
SCHEMBL8575147 0.94 GAA (0.41) ALDH1A1MAPTSMN1; SMN2GAAMAPK1
Hydrochloric Acid SCHEMBL8579624 0.93 GAA (0.40) ALDH1A1MAPTSMN1; SMN2GAAMAPK1
SCHEMBL9574217 0.89 ALDH1A1 (0.40) ALDH1A1MAPTSMN1; SMN2GAAMAPK1
SCHEMBL9574299 0.89 ALDH1A1 (0.40) ALDH1A1MAPTSMN1; SMN2GAAMAPK1
SCHEMBL8435906 0.89 ALDH1A1 (0.40) ALDH1A1MAPTSMN1; SMN2GAAMAPK1
SCHEMBL8436042 0.89 SMN1; SMN2 (0.45) ALDH1A1MAPTSMN1; SMN2GAAMAPK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5866564-A STABILITY SANKYO COMPANY, LIMITED (JP) 1999-02-02 US disclosed
EP-0518558-B1 1-Methylcarbapenem derivatives, their preparation and their use as antibiotics SANKYO CO (JP) 1998-09-02 EP disclosed
US-5712267-A Carbapenem derivatives, their preparation and their use as antibiotics SANKYO COMPANY,. LIMITED (JP) 1998-01-27 US disclosed
EP-0518558-A1 1-Methylcarbapenem derivatives, their preparation and their use as antibiotics Sankyo Company Limited (JP) 1992-12-16 EP disclosed