SCHEMBL8404254

SCHEMBL8404254

CCC(=O)C(=[N+]=[N-])C(=O)OCc1ccccc1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.49
KMT2A Q03164 3/20 0.44
TDP1 Q9NUW8 3/20 0.44
L3MBTL1 Q9Y468 3/20 0.44
MAPK1 P28482 2/20 0.44
SLC6A2 P23975 1/20 0.44
SLC6A3 Q01959 1/20 0.44
RAB9A P51151 4/20 0.42
GAA P10253 1/20 0.42
CYP3A4 P08684 1/20 0.41
TSHR P16473 1/20 0.41
LMNA P02545 3/20 0.41
HCAR2 Q8TDS4 1/20 0.41
NPC1 O15118 2/20 0.40
MAPT P10636 2/20 0.39
HPGD P15428 1/20 0.39
HTT P42858 1/20 0.39
CES2 O00748 1/20 0.39
CES1 P23141 1/20 0.39
STAT1 P42224 1/20 0.38

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
SCHEMBL27549934 0.88 ALDH1A1 (0.46) ALDH1A1KMT2ATDP1L3MBTL1MAPK1
SCHEMBL30115183 0.87 ALDH1A1 (0.53) ALDH1A1KMT2ATDP1L3MBTL1MAPK1
SCHEMBL26658 0.84 ALDH1A1 (0.56) ALDH1A1KMT2ATDP1L3MBTL1MAPK1
SCHEMBL4915829 0.84 ALDH1A1 (0.45) ALDH1A1KMT2ATDP1L3MBTL1MAPK1
SCHEMBL305295 0.82 ALDH1A1 (0.60) ALDH1A1KMT2ATDP1L3MBTL1MAPK1
SCHEMBL10690535 0.82 HTT (0.45) ALDH1A1L3MBTL1RAB9AGAAMAPT
SCHEMBL31228371 0.82 ALDH1A1 (0.53) ALDH1A1KMT2ATDP1L3MBTL1MAPK1
SCHEMBL27818032 0.81 ALDH1A1 (0.51) ALDH1A1KMT2ATDP1L3MBTL1MAPK1
SCHEMBL16370038 0.81 HTT (0.43) ALDH1A1KMT2ATDP1L3MBTL1MAPK1
SCHEMBL5245374 0.81 ALDH1A1 (0.47) ALDH1A1KMT2ATDP1L3MBTL1MAPK1

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-1277819-C Process for producing azetidinone compounds TAKASAGO PERFUMERY CO LTD (JP) 2006-10-04 CN disclosed
CN-1610663-A Process for producing azetidinone compounds TAKASAGO PERFUMERY CO LTD (JP) 2005-04-27 CN disclosed
US-5998612-A Antibiotic synthesis MERCK SHARP & DOHME CORP. 1999-12-07 US disclosed
EP-0078026-B1 ANTIBIOTIC SYNTHESIS MERCK & CO. INC. (US) 1988-09-28 EP disclosed
EP-0078026-A2 Antibiotic synthesis MERCK & CO. INC. (US) 1983-05-04 EP disclosed