SCHEMBL11077043

SCHEMBL11077043

CCOC(=O)C(=O)CC(=O)c1c(-c2cccs2)cc2ccccn12

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTT P42858 3/20 0.51
L3MBTL1 Q9Y468 2/20 0.51
ATM Q13315 1/20 0.51
BAZ2B Q9UIF8 1/20 0.44
BAZ2A Q9UIF9 1/20 0.44
THRB P10828 1/20 0.40
ALDH1A1 P00352 7/20 0.39
GAA P10253 2/20 0.39
MAPT P10636 1/20 0.39
KEAP1 Q14145 1/20 0.39
POLB P06746 2/20 0.39
TP53 P04637 2/20 0.39
HPGD P15428 3/20 0.38
HSD17B10 Q99714 2/20 0.38
TSHR P16473 1/20 0.38
KDM4E B2RXH2 6/20 0.37
NPSR1 Q6W5P4 4/20 0.37
LMNA P02545 1/20 0.37
HDAC3 O15379 1/20 0.37
HDAC1 Q13547 1/20 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
SCHEMBL11075315 0.89 HTT (0.47) HTTL3MBTL1ATMBAZ2BBAZ2A
SCHEMBL11082153 0.87 L3MBTL1 (0.50) HTTL3MBTL1ATMTHRBALDH1A1
SCHEMBL11079333 0.84 HTT (0.46) HTTL3MBTL1ATMBAZ2BBAZ2A
SCHEMBL11079986 0.84 L3MBTL1 (0.54) HTTL3MBTL1ATMTHRBALDH1A1
SCHEMBL11074876 0.84 THRB (0.58) HTTL3MBTL1ATMTHRBALDH1A1
SCHEMBL11076492 0.80 HTT (0.52) HTTL3MBTL1ATMTHRBALDH1A1
SCHEMBL11075441 0.80 L3MBTL1 (0.52) HTTL3MBTL1ATMTHRBALDH1A1
SCHEMBL11081573 0.80 L3MBTL1 (0.60) HTTL3MBTL1ATMTHRBALDH1A1
SCHEMBL11077400 0.79 L3MBTL1 (0.51) HTTL3MBTL1ATMTHRBALDH1A1
SCHEMBL11075596 0.79 HTT (0.51) HTTL3MBTL1ATMTHRBALDH1A1

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