SCHEMBL7556201

SCHEMBL7556201

CCOC(=O)c1c(O)c2c(OC)c(OC)cc(=O)c-2cn1CC(C)(C)C

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.38
HSD17B2 P37059 1/20 0.37
ALDH1A1 P00352 3/20 0.36
KDM4E B2RXH2 2/20 0.36
MEN1 O00255 2/20 0.36
KMT2A Q03164 2/20 0.36
SIRT3 Q9NTG7 1/20 0.36
SIRT5 Q9NXA8 1/20 0.36
GAA P10253 1/20 0.35
HPGD P15428 3/20 0.35
NPSR1 Q6W5P4 2/20 0.35
CYP1A2 P05177 1/20 0.35
CYP3A4 P08684 1/20 0.35
PPARG P37231 1/20 0.35
NCOA2 Q15596 1/20 0.35
NCOA1 Q15788 1/20 0.35
HSD17B10 Q99714 1/20 0.35
NCOA3 Q9Y6Q9 1/20 0.35
BCL2L1 Q07817 1/20 0.34
PTPN11 Q06124 1/20 0.34

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
SCHEMBL7005350 0.85 SLC6A5 (0.38) MAPTALDH1A1KDM4EMEN1KMT2A
SCHEMBL7564220 0.84 MAPT (0.38) MAPTHSD17B2ALDH1A1KDM4EMEN1
SCHEMBL7007505 0.76 SLC6A5 (0.37) ALDH1A1KDM4EKMT2AGAATSHR
SCHEMBL7004077 0.74 SLC6A5 (0.38) MAPTALDH1A1KDM4EMEN1KMT2A
SCHEMBL7556806 0.72 BAZ2B (0.38) MAPTALDH1A1GAANPSR1CYP1A2
SCHEMBL7007295 0.72 PTPN11 (0.37) MAPTALDH1A1KDM4EKMT2AGAA
SCHEMBL7007699 0.70 CRHBP (0.39) MAPTALDH1A1KDM4EGAANPSR1
SCHEMBL7561375 0.69 TDP1 (0.42) MAPTALDH1A1KDM4EGAAHPGD
SCHEMBL7559797 0.69 ALDH1A1 (0.38) MAPTALDH1A1KDM4EGAAHPGD
SCHEMBL15005381 0.67 ALDH1A1 (0.57) MAPTHSD17B2ALDH1A1KDM4EMEN1

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2002062764-A9 FUSED HETEROCYCLIC COMPOUNDS TAKEDA CHEMICAL INDUSTRIES LTD (JP) 2002-10-10 WO disclosed