SCHEMBL1306574

SCHEMBL1306574

COC(=O)c1ccc(/C=C(\COc2cccc3ccccc23)C(=O)NCCCN2CCCC2)cc1

nearest known ligand 0.46

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ TDP1 Q9NUW8 1/20 0.46
▸ KDM4E B2RXH2 3/20 0.46
▸ HSD17B10 Q99714 2/20 0.46
▸ DRD3 P35462 8/20 0.45
▸ FAAH O00519 5/20 0.45
▸ DRD2 P14416 5/20 0.45
▸ CNR1 P21554 3/20 0.45
▸ HRH3 Q9Y5N1 4/20 0.45
▸ HTR2A P28223 2/20 0.45
▸ HTR7 P34969 2/20 0.45
▸ HTR6 P50406 2/20 0.45
▸ GCGR P47871 1/20 0.42
▸ MAPT P10636 1/20 0.41
▸ HTT P42858 1/20 0.41
▸ DRD4 P21917 1/20 0.41

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
SCHEMBL1305476 0.93 MAPT (0.49) TDP1DRD3FAAHDRD2CNR1
SCHEMBL2891106 0.91 TDP1 (0.47) TDP1KDM4EHSD17B10DRD3FAAH
SCHEMBL2891102 0.91 TDP1 (0.47) TDP1KDM4EHSD17B10DRD3FAAH
SCHEMBL1306651 0.88 SCN1A (0.43) KDM4EHSD17B10MAPT
SCHEMBL1306488 0.88 L3MBTL1 (0.48) KDM4EHSD17B10MAPT
SCHEMBL1306577 0.85 DRD3 (0.46) TDP1KDM4EHSD17B10DRD3FAAH
SCHEMBL1305638 0.84 MAPT (0.51) KDM4ECNR1MAPTHTT
SCHEMBL1305640 0.84 MAPT (0.51) KDM4ECNR1MAPTHTT
SCHEMBL1306801 0.84 KDM4E (0.47) TDP1KDM4EMAPT
SCHEMBL1307053 0.84 L3MBTL1 (0.52) KDM4EMAPT

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
US-8053435-B2 Naphthalenyloxypropenyl derivatives having inhibitory activity against histone deacetylase and pharmaceutical composition comprising the same KOREA RESEARCH INSTITUTE OF CHEMICAL TECHNOLOGY (KR) 2011-11-08 — — US disclosed
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