SCHEMBL7770561

SCHEMBL7770561

CCOc1cccc(OCC2NC(=O)c3ccccc3O2)c1OC(=O)CC

nearest known ligand 0.53

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 8/20 0.45
ALDH1A1 P00352 6/20 0.45
HSD17B10 Q99714 4/20 0.45
USP2 O75604 1/20 0.45
GAA P10253 1/20 0.45
PARP1 P09874 1/20 0.44
KMT2A Q03164 5/20 0.43
LMNA P02545 1/20 0.42
TDP1 Q9NUW8 1/20 0.40
HPGD P15428 1/20 0.38
MEN1 O00255 2/20 0.38

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
SCHEMBL7775275 0.92 KMT2A (0.53) KDM4EALDH1A1HSD17B10USP2GAA
SCHEMBL7775061 0.80 CYP1A2 (0.37) KDM4EALDH1A1HSD17B10USP2GAA
SCHEMBL7770152 0.79 KMT2A (0.36) KDM4EALDH1A1HSD17B10USP2GAA
SCHEMBL7775208 0.73 ALDH1A1 (0.41) KDM4EALDH1A1HSD17B10USP2GAA
SCHEMBL7775210 0.73 KMT2A (0.43) KDM4EALDH1A1HSD17B10USP2GAA
SCHEMBL7248441 0.72 SMN1; SMN2 (0.38) KDM4EALDH1A1USP2GAAKMT2A
SCHEMBL15558253 0.72 L3MBTL1 (0.46) KDM4EALDH1A1GAAKMT2AMEN1
SCHEMBL7775207 0.71 TNKS2 (0.36) KDM4EALDH1A1KMT2AHPGD
SCHEMBL6055987 0.69 ALDH1A1 (0.47) ALDH1A1GAAKMT2ALMNA
SCHEMBL1096226 0.68 ALDH1A1 (0.51) KDM4EALDH1A1HSD17B10USP2GAA

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-1124807-A1 NOVEL HETEROCYCLIC COMPOUNDS AND THEIR USE IN MEDICINE, PROCESS FOR THEIR PREPARATION AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM DR. REDDY'S RESEARCH FOUNDATION (IN) 2001-08-22 EP claimed
CN-1280574-A Heterocyclic compounds, their use in medicine, processes for their preparation and pharmaceutical compositions containing them REDDY CHEMINOR INC (IN) 2001-01-17 CN claimed
WO-1999016758-A1 NOVEL HETEROCYCLIC COMPOUNDS AND THEIR USE IN MEDICINE, PROCESS FOR THEIR PREPARATION AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM DR. REDDY'S RESEARCH FOUNDATION (IN) 1999-04-08 WO claimed
EP-1124807-A1 NOVEL HETEROCYCLIC COMPOUNDS AND THEIR USE IN MEDICINE, PROCESS FOR THEIR PREPARATION AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM DR. REDDY'S RESEARCH FOUNDATION (IN) 2001-08-22 EP disclosed
CN-1280574-A Heterocyclic compounds, their use in medicine, processes for their preparation and pharmaceutical compositions containing them REDDY CHEMINOR INC (IN) 2001-01-17 CN disclosed
WO-1999016758-A1 NOVEL HETEROCYCLIC COMPOUNDS AND THEIR USE IN MEDICINE, PROCESS FOR THEIR PREPARATION AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM DR. REDDY'S RESEARCH FOUNDATION (IN) 1999-04-08 WO disclosed