SCHEMBL6944683

SCHEMBL6944683

CCOC(=O)[C@@H]1C[C@H](SCc2ccc(OC)cc2)CN1C(=O)OCc1ccc([N+](=O)[O-])cc1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.44
MAPK1 P28482 1/20 0.44
L3MBTL1 Q9Y468 1/20 0.44
MAPT P10636 4/20 0.43
KMT2A Q03164 4/20 0.43
SMN1; SMN2 Q16637 3/20 0.43
MEN1 O00255 2/20 0.43
KDM4E B2RXH2 1/20 0.43
TP53 P04637 1/20 0.43
CYP3A4 P08684 1/20 0.43
ALOX15 P16050 1/20 0.43
HSD17B10 Q99714 1/20 0.43
GAA P10253 1/20 0.42
NPFFR1 Q9GZQ6 1/20 0.40
NPFFR2 Q9Y5X5 1/20 0.40
HPGD P15428 1/20 0.40
KCNJ1 P48048 1/20 0.39
KCNH2 Q12809 1/20 0.39
LMNA P02545 1/20 0.39
CRHBP P24387 1/20 0.39

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
SCHEMBL6945003 0.90 GAA (0.44) ALDH1A1MAPK1L3MBTL1MAPTSMN1; SMN2
SCHEMBL6940950 0.90 GAA (0.44) ALDH1A1MAPK1L3MBTL1MAPTSMN1; SMN2
Hydrochloric Acid SCHEMBL6940954 0.90 GAA (0.43) ALDH1A1MAPK1L3MBTL1MAPTSMN1; SMN2
SCHEMBL8575147 0.86 GAA (0.41) ALDH1A1MAPK1L3MBTL1MAPTSMN1; SMN2
Hydrochloric Acid SCHEMBL8579624 0.85 GAA (0.40) ALDH1A1MAPK1L3MBTL1MAPTSMN1; SMN2
SCHEMBL9127639 0.85 KCNJ1 (0.41) ALDH1A1MAPK1L3MBTL1MAPTSMN1; SMN2
SCHEMBL8095363 0.85 GAA (0.44) ALDH1A1MAPK1L3MBTL1MAPTSMN1; SMN2
SCHEMBL9728362 0.85 GAA (0.44) ALDH1A1MAPK1L3MBTL1MAPTSMN1; SMN2
SCHEMBL9728358 0.85 GAA (0.44) ALDH1A1MAPK1L3MBTL1MAPTSMN1; SMN2
SCHEMBL8104804 0.85 GAA (0.44) ALDH1A1MAPK1L3MBTL1MAPTSMN1; SMN2

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
EP-0641795-B9 CARBAPENEM DERIVATIVE DAIICHI SEIYAKU CO (JP) 2003-01-29 EP disclosed
EP-0641795-B1 CARBAPENEM DERIVATIVE DAIICHI SEIYAKU CO (JP) 2002-09-25 EP disclosed
US-5559224-A Carbepenem derivatives DAIICHI PHARMACEUTICAL CO., LTD. (JP) 1996-09-24 US disclosed
EP-0641795-A1 CARBAPENEM DERIVATIVE DAIICHI PHARMACEUTICAL CO., LTD. (JP) 1995-03-08 EP disclosed