SCHEMBL7458767

SCHEMBL7458767

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

nearest known ligand 0.35

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.35
SMN1; SMN2 Q16637 2/20 0.34
PKM P14618 1/20 0.34
HTT P42858 1/20 0.34
MAPK1 P28482 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
MAPT P10636 1/20 0.32
GAA P10253 1/20 0.32
GRIN2B Q13224 1/20 0.31
MMP1 P03956 1/20 0.31
MMP2 P08253 1/20 0.31
MMP3 P08254 1/20 0.31
MMP7 P09237 1/20 0.31
MMP9 P14780 1/20 0.31
MMP8 P22894 1/20 0.31
HTRA1 Q92743 1/20 0.30
CCR5 P51681 2/20 0.30
NPFFR1 Q9GZQ6 1/20 0.30
NPFFR2 Q9Y5X5 1/20 0.30

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
SCHEMBL7458772 1.00 ALDH1A1 (0.35) ALDH1A1SMN1; SMN2PKMHTTMAPK1
SCHEMBL7560752 0.96 ALDH1A1 (0.34) ALDH1A1SMN1; SMN2PKMHTTMAPK1
SCHEMBL7560749 0.96 ALDH1A1 (0.34) ALDH1A1SMN1; SMN2PKMHTTMAPK1
SCHEMBL7458362 0.89 ALDH1A1 (0.36) ALDH1A1SMN1; SMN2PKMHTTMAPK1
SCHEMBL7458366 0.89 ALDH1A1 (0.36) ALDH1A1SMN1; SMN2PKMHTTMAPK1
SCHEMBL7458781 0.88 ALDH1A1 (0.34) ALDH1A1SMN1; SMN2PKMHTTMAPK1
SCHEMBL7448985 0.88 CCR5 (0.33) CCR5
SCHEMBL7448980 0.88 CCR5 (0.33) CCR5
SCHEMBL7458371 0.88 ALDH1A1 (0.36) ALDH1A1SMN1; SMN2PKMHTTMAPK1
SCHEMBL7458363 0.87 ALDH1A1 (0.36) ALDH1A1SMN1; SMN2PKMHTTMAPK1

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-0882728-B1 1-METHYLCARBAPENEM DERIVATIVES SANKYO CO (JP) 2002-09-04 EP disclosed
US-6090802-A BACTERICIDE SANKYO COMPANY, LIMITED (JP) 2000-07-18 US disclosed
EP-0882728-A1 1-METHYLCARBAPENEM DERIVATIVES SANKYO COMPANY LIMITED (JP) 1998-12-09 EP disclosed