SCHEMBL11078237

SCHEMBL11078237

CCOC(=O)C(=O)CC(=O)c1c(-c2ccc(Cl)c(Cl)c2)cc2ccccn12

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 5/20 0.50
HTT P42858 4/20 0.50
ATM Q13315 1/20 0.50
THRB P10828 1/20 0.44
SMN1; SMN2 Q16637 3/20 0.39
MAPT P10636 4/20 0.39
MAPK1 P28482 3/20 0.39
GAA P10253 1/20 0.39
ALDH1A1 P00352 5/20 0.38
KMT2A Q03164 3/20 0.38
KDM4E B2RXH2 3/20 0.38
MEN1 O00255 2/20 0.38
RAB9A P51151 2/20 0.38
CYP1A2 P05177 1/20 0.38
CYP2D6 P10635 1/20 0.38
CYP2C9 P11712 1/20 0.38
CYP2C19 P33261 1/20 0.38
CHRM3 P20309 2/20 0.38
TDP1 Q9NUW8 1/20 0.37
ALOX5 P09917 2/20 0.37

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 0.87 L3MBTL1 (0.54) L3MBTL1HTTATMTHRBSMN1; SMN2
SCHEMBL11074876 0.87 THRB (0.58) L3MBTL1HTTATMTHRBSMN1; SMN2
SCHEMBL11076492 0.85 HTT (0.52) L3MBTL1HTTATMTHRBSMN1; SMN2
SCHEMBL11075441 0.85 L3MBTL1 (0.52) L3MBTL1HTTATMTHRBSMN1; SMN2
SCHEMBL11071322 0.85 FEN1 (0.47) L3MBTL1HTTTHRBSMN1; SMN2MAPT
SCHEMBL11076349 0.85 HTT (0.49) L3MBTL1HTTATMTHRBSMN1; SMN2
SCHEMBL11075596 0.84 HTT (0.51) L3MBTL1HTTATMTHRBSMN1; SMN2
SCHEMBL11075739 0.84 L3MBTL1 (0.50) L3MBTL1HTTATMTHRBSMN1; SMN2
SCHEMBL11081793 0.83 L3MBTL1 (0.49) L3MBTL1HTTATMTHRBSMN1; SMN2
SCHEMBL11078060 0.83 L3MBTL1 (0.49) L3MBTL1HTTATMTHRBSMN1; 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 5 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 claimed
US-4386092-A IMMUNOMODULATORY YOSHITOMI PHARMACEUTICAL INDUSTRIES, LTD. (JP) 1983-05-31 US claimed
EP-0043858-A1 HETERO RING-SUBSTITUTED OXOALKANOIC ACID DERIVATIVES Yoshitomi Pharmaceutical Industries, Ltd. (JP) 1982-01-20 EP claimed
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