SCHEMBL8436337

SCHEMBL8436337

COc1ccc(CS[C@H]2C[C@@H](C(=O)N3CCN(C(C)=NC(=O)OCc4ccc([N+](=O)[O-])cc4)[C@@H](C)C3)N(C(=O)OCc3ccc([N+](=O)[O-])cc3)C2)cc1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.36
MAPT P10636 3/20 0.36
SMN1; SMN2 Q16637 2/20 0.36
GAA P10253 1/20 0.35
MAPK1 P28482 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.34
MEN1 O00255 1/20 0.34
KMT2A Q03164 1/20 0.34
KCNJ1 P48048 1/20 0.33
KCNH2 Q12809 1/20 0.33
PDK1 Q15118 1/20 0.33
PDK2 Q15119 1/20 0.33
PDK3 Q15120 1/20 0.33
PDK4 Q16654 1/20 0.33
LMNA P02545 1/20 0.33
MMP1 P03956 1/20 0.33
MMP3 P08254 1/20 0.33
MMP7 P09237 1/20 0.33
MMP9 P14780 1/20 0.33
MMP13 P45452 1/20 0.33

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
SCHEMBL8435739 0.92 ALDH1A1 (0.38) ALDH1A1MAPTSMN1; SMN2GAAMAPK1
SCHEMBL8436267 0.92 ALDH1A1 (0.40) ALDH1A1MAPTSMN1; SMN2GAAMAPK1
SCHEMBL8437827 0.90 ALDH1A1 (0.36) ALDH1A1MAPTSMN1; SMN2GAAMAPK1
SCHEMBL8439023 0.89 ALDH1A1 (0.41) ALDH1A1MAPTSMN1; SMN2GAAMAPK1
SCHEMBL9126554 0.88 GAA (0.40) ALDH1A1MAPTSMN1; SMN2GAAMAPK1
SCHEMBL9127481 0.87 ALDH1A1 (0.39) ALDH1A1MAPTSMN1; SMN2GAAMAPK1
SCHEMBL8536471 0.86 ALDH1A1 (0.40) ALDH1A1MAPTSMN1; SMN2GAAMAPK1
SCHEMBL8436746 0.85 GPR119 (0.41) ALDH1A1MAPTSMN1; SMN2GAAMAPK1
SCHEMBL8579494 0.85 ALDH1A1 (0.38) ALDH1A1MAPTSMN1; SMN2GAAMAPK1
SCHEMBL9127639 0.85 KCNJ1 (0.41) 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