SCHEMBL9828159

SCHEMBL9828159

COc1ccc(COC(=O)NCCC(=O)O)cc1

nearest known ligand 0.58

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
HTT P42858 2/20 0.58
ALDH1A1 P00352 2/20 0.57
GLA P06280 1/20 0.57
KMT2A Q03164 1/20 0.57
FFAR1 O14842 2/20 0.55
ATM Q13315 1/20 0.53
MAPT P10636 1/20 0.53
L3MBTL1 Q9Y468 1/20 0.53
SMN1; SMN2 Q16637 2/20 0.50
LMNA P02545 1/20 0.50
MIF P14174 1/20 0.49
NPC1 O15118 1/20 0.49
GAA P10253 1/20 0.49
RAB9A P51151 1/20 0.49
TAAR1 Q96RJ0 1/20 0.49
POLB P06746 1/20 0.48
S1PR1 P21453 1/20 0.47

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
SCHEMBL7009466 0.92 HTT (0.72) HTTALDH1A1GLAKMT2AFFAR1
SCHEMBL9830417 0.90 HTT (0.66) HTTALDH1A1GLAKMT2AFFAR1
SCHEMBL9829454 0.89 HTT (0.64) HTTALDH1A1GLAKMT2AFFAR1
SCHEMBL2678250 0.89 HTT (0.64) HTTALDH1A1GLAKMT2AFFAR1
SCHEMBL8441435 0.85 ALDH1A1 (0.60) HTTALDH1A1GLAKMT2AFFAR1
SCHEMBL9829717 0.85 HTT (0.61) HTTKMT2AMAPTL3MBTL1SMN1; SMN2
SCHEMBL11526146 0.85 ALDH1A1 (0.60) HTTALDH1A1GLAKMT2AATM
SCHEMBL8439121 0.84 ALDH1A1 (0.58) HTTALDH1A1GLAKMT2AATM
SCHEMBL6750273 0.84 ALDH1A1 (0.58) HTTALDH1A1GLAKMT2AATM
SCHEMBL6878893 0.83 HTT (0.57) HTTALDH1A1KMT2AL3MBTL1SMN1; 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 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