SCHEMBL1307055

SCHEMBL1307055

Cc1cc(C=C(COc2cccc3ccccc23)C(=O)NCCCn2ccnc2)ccc1C(=O)O

nearest known ligand 0.49

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 4/20 0.47
▸ L3MBTL1 Q9Y468 3/20 0.47
▸ PKM P14618 1/20 0.47
▸ LMNA P02545 3/20 0.46
▸ KDM4E B2RXH2 5/20 0.46
▸ SMN1; SMN2 Q16637 2/20 0.45
▸ MAPT P10636 1/20 0.44
▸ KMT2A Q03164 2/20 0.43
▸ GLA P06280 1/20 0.43
▸ GAA P10253 1/20 0.43
▸ HPGD P15428 1/20 0.43
▸ MEN1 O00255 1/20 0.43
▸ BRD4 O60885 1/20 0.42

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
SCHEMBL1305950 0.89 L3MBTL1 (0.50) ALDH1A1L3MBTL1PKMLMNAKDM4E
SCHEMBL1305956 0.89 L3MBTL1 (0.50) ALDH1A1L3MBTL1PKMLMNAKDM4E
SCHEMBL1307053 0.86 L3MBTL1 (0.52) ALDH1A1L3MBTL1PKMLMNAKDM4E
SCHEMBL1306577 0.85 DRD3 (0.46) KDM4E
SCHEMBL1306227 0.85 L3MBTL1 (0.51) ALDH1A1L3MBTL1PKMLMNAKDM4E
SCHEMBL1306230 0.85 L3MBTL1 (0.51) ALDH1A1L3MBTL1PKMLMNAKDM4E
SCHEMBL1305479 0.83 MAPT (0.47) LMNASMN1; SMN2MAPTKMT2A
SCHEMBL1306803 0.82 HPGD (0.43) ALDH1A1L3MBTL1LMNAKDM4ESMN1; SMN2
SCHEMBL1306490 0.81 KDM4E (0.47) ALDH1A1L3MBTL1LMNAKDM4ESMN1; SMN2
SCHEMBL1306652 0.80 LMNA (0.43) ALDH1A1LMNAKDM4EMAPTKMT2A

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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