SCHEMBL11082153

SCHEMBL11082153

CCOC(=O)C(=O)CC(=O)c1c(-c2cc(C)cs2)cc2ccccn12

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 6/20 0.50
HTT P42858 3/20 0.50
ATM Q13315 1/20 0.50
THRB P10828 1/20 0.40
ALDH1A1 P00352 7/20 0.38
MAPK1 P28482 5/20 0.38
NSD2 O96028 1/20 0.37
SMN1; SMN2 Q16637 4/20 0.36
KDM4E B2RXH2 4/20 0.36
RAB9A P51151 2/20 0.36
POLB P06746 1/20 0.34
NPSR1 Q6W5P4 1/20 0.34
MAPT P10636 3/20 0.34
GAA P10253 2/20 0.34
LMNA P02545 2/20 0.34
ALOX12 P18054 1/20 0.34
TDP1 Q9NUW8 1/20 0.34
MEN1 O00255 1/20 0.34
KMT2A Q03164 1/20 0.34
CYP1A2 P05177 1/20 0.33

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
SCHEMBL11186310 0.87 THRB (0.42) L3MBTL1HTTATMTHRBALDH1A1
SCHEMBL11077043 0.87 HTT (0.51) L3MBTL1HTTATMTHRBALDH1A1
SCHEMBL11079986 0.85 L3MBTL1 (0.54) L3MBTL1HTTATMTHRBALDH1A1
SCHEMBL11074876 0.83 THRB (0.58) L3MBTL1HTTATMTHRBALDH1A1
SCHEMBL11077400 0.80 L3MBTL1 (0.51) L3MBTL1HTTATMTHRBALDH1A1
SCHEMBL11074781 0.80 ALDH1A1 (0.53) L3MBTL1HTTATMALDH1A1MAPK1
SCHEMBL11075114 0.80 THRB (0.41) L3MBTL1HTTATMTHRBALDH1A1
SCHEMBL11075441 0.79 L3MBTL1 (0.52) L3MBTL1HTTATMTHRBALDH1A1
SCHEMBL11076492 0.79 HTT (0.52) L3MBTL1HTTATMTHRBALDH1A1
SCHEMBL11081573 0.79 L3MBTL1 (0.60) L3MBTL1HTTATMTHRBALDH1A1

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 6 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
EP-0043858-A1 HETERO RING-SUBSTITUTED OXOALKANOIC ACID DERIVATIVES Yoshitomi Pharmaceutical Industries, Ltd. (JP) 1982-01-20 EP disclosed