SCHEMBL11075441

SCHEMBL11075441

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

nearest known ligand 0.52

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 5/20 0.52
HTT P42858 3/20 0.52
ATM Q13315 1/20 0.52
THRB P10828 1/20 0.48
SMN1; SMN2 Q16637 5/20 0.43
MAPT P10636 7/20 0.41
LMNA P02545 2/20 0.39
ALDH1A1 P00352 9/20 0.39
MAPK1 P28482 4/20 0.39
KDM4E B2RXH2 3/20 0.38
MEN1 O00255 2/20 0.38
KMT2A Q03164 2/20 0.38
TDP1 Q9NUW8 2/20 0.38
RECQL P46063 1/20 0.38
RAB9A P51151 2/20 0.37
PRKCZ Q05513 1/20 0.37
POLB P06746 1/20 0.35
GAA P10253 1/20 0.35
ALOX12 P18054 1/20 0.35

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 0.91 L3MBTL1 (0.54) L3MBTL1HTTATMTHRBSMN1; SMN2
SCHEMBL11074876 0.91 THRB (0.58) L3MBTL1HTTATMTHRBSMN1; SMN2
SCHEMBL11076492 0.89 HTT (0.52) L3MBTL1HTTATMTHRBSMN1; SMN2
SCHEMBL11075596 0.88 HTT (0.51) L3MBTL1HTTATMTHRBSMN1; SMN2
SCHEMBL11075739 0.88 L3MBTL1 (0.50) L3MBTL1HTTATMTHRBSMN1; SMN2
SCHEMBL11081793 0.87 L3MBTL1 (0.49) L3MBTL1HTTATMTHRBSMN1; SMN2
SCHEMBL11078060 0.87 L3MBTL1 (0.49) L3MBTL1HTTATMTHRBSMN1; SMN2
SCHEMBL11082218 0.87 HTT (0.49) L3MBTL1HTTATMTHRBSMN1; SMN2
SCHEMBL11078237 0.85 L3MBTL1 (0.50) L3MBTL1HTTATMTHRBSMN1; SMN2
SCHEMBL11076349 0.85 HTT (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 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