SCHEMBL8447149

SCHEMBL8447149

COc1ccc(CS[C@H]2C[C@@H](C(=O)N3CC[C@@H](CNC(N)=NC(=O)OCc4ccc([N+](=O)[O-])cc4)C3)N(C(=O)OCc3ccc([N+](=O)[O-])cc3)C2)cc1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.40
GRIN2B Q13224 1/20 0.39
GAA P10253 1/20 0.36
TPSAB1 Q15661 2/20 0.35
TPSD1 Q9BZJ3 2/20 0.35
TPSG1 Q9NRR2 2/20 0.35
F2 P00734 1/20 0.35
PLG P00747 1/20 0.35
PRSS1 P07477 1/20 0.35
PRSS2 P07478 1/20 0.35
PRSS3 P35030 1/20 0.35
MMP1 P03956 2/20 0.34
MMP3 P08254 2/20 0.34
MMP7 P09237 2/20 0.34
MMP9 P14780 2/20 0.34
MMP2 P08253 1/20 0.34
MMP8 P22894 1/20 0.34
MAPK1 P28482 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.34
HTRA1 Q92743 1/20 0.34

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
SCHEMBL8444918 0.94 GRIN2B (0.39) ALDH1A1GRIN2BGAATPSAB1TPSD1
SCHEMBL8448655 0.94 GRIN2B (0.39) ALDH1A1GRIN2BGAATPSAB1TPSD1
SCHEMBL7457369 0.89 ALDH1A1 (0.39) ALDH1A1GRIN2BGAAMMP1MMP3
SCHEMBL8444911 0.88 GAA (0.41) ALDH1A1GRIN2BGAATPSAB1TPSD1
SCHEMBL8448646 0.88 GAA (0.41) ALDH1A1GRIN2BGAATPSAB1TPSD1
SCHEMBL8536471 0.86 ALDH1A1 (0.40) ALDH1A1GRIN2BGAAMAPK1L3MBTL1
SCHEMBL8447430 0.85 TPSAB1 (0.39) ALDH1A1GRIN2BTPSAB1TPSD1TPSG1
SCHEMBL8444908 0.85 TPSAB1 (0.39) ALDH1A1GRIN2BTPSAB1TPSD1TPSG1
SCHEMBL8445627 0.84 GRIN2B (0.39) ALDH1A1GRIN2BGAAMAPK1L3MBTL1
SCHEMBL8445629 0.84 GRIN2B (0.39) ALDH1A1GRIN2BGAAMAPK1L3MBTL1

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-5977097-A 1-methylcarbapenem derivatives SANKYO COMPANY LIMITED (JP) 1999-11-02 US disclosed
EP-0900797-A1 1-METHYLCARBAPENEM DERIVATIVES SANKYO COMPANY LIMITED (JP) 1999-03-10 EP disclosed