SCHEMBL1306264

SCHEMBL1306264

CC(CCCC=C(COc1cccc2ccccc12)C(=O)NCCCn1ccnc1)C(=O)O

nearest known ligand 0.49

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 3/20 0.49
▸ L3MBTL1 Q9Y468 2/20 0.49
▸ PKM P14618 1/20 0.49
▸ KDM4E B2RXH2 4/20 0.47
▸ POLB P06746 1/20 0.47
▸ SMN1; SMN2 Q16637 1/20 0.47
▸ TBXAS1 P24557 2/20 0.44
▸ QPCT Q16769 3/20 0.43
▸ LMNA P02545 2/20 0.43
▸ MAPT P10636 1/20 0.43
▸ MEN1 O00255 1/20 0.42
▸ KMT2A Q03164 1/20 0.42
▸ GAA P10253 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
SCHEMBL1306376 0.87 KDM4E (0.50) ALDH1A1L3MBTL1PKMKDM4EPOLB
SCHEMBL1306379 0.87 KDM4E (0.50) ALDH1A1L3MBTL1PKMKDM4EPOLB
SCHEMBL1306183 0.86 ALDH1A1 (0.45) ALDH1A1L3MBTL1PKMKDM4EPOLB
SCHEMBL1306260 0.86 ALDH1A1 (0.52) ALDH1A1L3MBTL1PKMKDM4EPOLB
SCHEMBL1306262 0.86 ALDH1A1 (0.52) ALDH1A1L3MBTL1PKMKDM4EPOLB
SCHEMBL1305248 0.84 L3MBTL1 (0.50) ALDH1A1L3MBTL1PKMKDM4EPOLB
SCHEMBL1305250 0.84 L3MBTL1 (0.50) ALDH1A1L3MBTL1PKMKDM4EPOLB
SCHEMBL29488478 0.84 L3MBTL1 (0.50) ALDH1A1L3MBTL1PKMKDM4EPOLB
SCHEMBL1306562 0.82 HPGD (0.44) ALDH1A1KDM4ESMN1; SMN2LMNAMAPT
SCHEMBL1305963 0.81 KDM4E (0.45) ALDH1A1L3MBTL1KDM4ESMN1; SMN2LMNA

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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