SCHEMBL9828291

SCHEMBL9828291

COc1ccc(C(=O)NC(C)(CO)C(=O)O)cc1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA1 P00915 4/20 0.54
CA2 P00918 4/20 0.54
MAPT P10636 1/20 0.53
PLK1 P53350 1/20 0.51
LMNA P02545 3/20 0.51
ALDH1A1 P00352 3/20 0.51
ALOX15 P16050 2/20 0.51
APEX1 P27695 1/20 0.51
MAPK1 P28482 1/20 0.51
RECQL P46063 1/20 0.51
HSD17B10 Q99714 1/20 0.51
TDP1 Q9NUW8 1/20 0.51
NPC1 O15118 4/20 0.49
RAB9A P51151 4/20 0.49
L3MBTL1 Q9Y468 2/20 0.49
MEN1 O00255 1/20 0.49
EPHX2 P34913 1/20 0.49
KMT2A Q03164 1/20 0.49
NR1H4 Q96RI1 1/20 0.49
SMN1; SMN2 Q16637 2/20 0.49

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
SCHEMBL9828297 1.00 CA1 (0.54) CA1CA2MAPTPLK1LMNA
SCHEMBL12897088 0.83 CA1 (0.59) CA1CA2MAPTPLK1LMNA
SCHEMBL9828824 0.82 POLB (0.57) CA1MAPTLMNAALDH1A1ALOX15
SCHEMBL9828829 0.82 POLB (0.57) CA1MAPTLMNAALDH1A1ALOX15
SCHEMBL28456891 0.81 MAPT (0.58) CA1CA2MAPTPLK1LMNA
SCHEMBL6418333 0.79 MAPT (0.64) CA1CA2MAPTPLK1LMNA
SCHEMBL8014083 0.77 MAPT (0.62) CA1CA2MAPTPLK1LMNA
SCHEMBL25767389 0.76 CA1 (0.59) CA1CA2MAPTPLK1LMNA
SCHEMBL1879426 0.75 POLB (0.66) CA1CA2MAPTPLK1LMNA
SCHEMBL28536711 0.75 MAPT (0.55) CA1CA2MAPTPLK1LMNA

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-0226304-B1 COMPOSITION CONTAINING A PENEM OR CARBAPENEM ANTIBIOTIC SANKYO COMPANY LIMITED (JP) 1991-08-28 EP disclosed
US-4757066-A Reduces renal toxicity SANKYO COMPANY LIMITED (JP) 1988-07-12 US disclosed
EP-0226304-A1 Composition containing a penem or carbapenem antibiotic SANKYO COMPANY LIMITED (JP) 1987-06-24 EP disclosed