SCHEMBL11078060

SCHEMBL11078060

CCOC(=O)C(=O)CC(=O)c1c(-c2ccc([N+](=O)[O-])cc2)cc2ccccn12

nearest known ligand 0.49

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 3/20 0.49
HTT P42858 3/20 0.49
ATM Q13315 1/20 0.49
ALDH1A1 P00352 4/20 0.46
MAPK1 P28482 2/20 0.46
THRB P10828 1/20 0.46
KMT2A Q03164 2/20 0.45
MAPT P10636 3/20 0.44
AR P10275 4/20 0.43
SMN1; SMN2 Q16637 4/20 0.41
RAB9A P51151 2/20 0.41
PRKCZ Q05513 1/20 0.40
LMNA P02545 1/20 0.40
HSP90AA1 P07900 1/20 0.39
TDP1 Q9NUW8 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
SCHEMBL11079986 0.89 L3MBTL1 (0.54) L3MBTL1HTTATMALDH1A1MAPK1
SCHEMBL11074876 0.88 THRB (0.58) L3MBTL1HTTATMALDH1A1MAPK1
SCHEMBL11075441 0.87 L3MBTL1 (0.52) L3MBTL1HTTATMALDH1A1MAPK1
SCHEMBL11076492 0.87 HTT (0.52) L3MBTL1HTTATMALDH1A1MAPK1
SCHEMBL11075596 0.86 HTT (0.51) L3MBTL1HTTATMALDH1A1MAPK1
SCHEMBL11075739 0.85 L3MBTL1 (0.50) L3MBTL1HTTATMALDH1A1MAPK1
SCHEMBL11081793 0.84 L3MBTL1 (0.49) L3MBTL1HTTATMALDH1A1MAPK1
SCHEMBL11082218 0.84 HTT (0.49) L3MBTL1HTTATMALDH1A1MAPK1
SCHEMBL11078237 0.83 L3MBTL1 (0.50) L3MBTL1HTTATMALDH1A1MAPK1
SCHEMBL11076349 0.82 HTT (0.49) L3MBTL1HTTATMALDH1A1MAPK1

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-0043858-B1 HETERO RING-SUBSTITUTED OXOALKANOIC ACID DERIVATIVES Yoshitomi Pharmaceutical Industries, Ltd. (JP) 1984-04-18 EP disclosed
US-4386092-A IMMUNOMODULATORY YOSHITOMI PHARMACEUTICAL INDUSTRIES, LTD. (JP) 1983-05-31 US disclosed
EP-0043858-A1 HETERO RING-SUBSTITUTED OXOALKANOIC ACID DERIVATIVES Yoshitomi Pharmaceutical Industries, Ltd. (JP) 1982-01-20 EP disclosed