SCHEMBL1306243

SCHEMBL1306243

COC(=O)c1ccc(/C=C(\COc2cccc3ccccc23)C(=O)NCc2ccco2)cc1

nearest known ligand 0.55

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ HPGD P15428 4/20 0.55
▸ LMNA P02545 3/20 0.55
▸ GAA P10253 2/20 0.55
▸ MAPK1 P28482 1/20 0.55
▸ POLB P06746 3/20 0.46
▸ RAB9A P51151 1/20 0.46
▸ ALDH1A1 P00352 8/20 0.46
▸ HTT P42858 4/20 0.45
▸ MAPT P10636 4/20 0.45
▸ L3MBTL1 Q9Y468 3/20 0.45
▸ SMN1; SMN2 Q16637 1/20 0.45
▸ KDM4E B2RXH2 4/20 0.44
▸ NPSR1 Q6W5P4 2/20 0.44
▸ USP2 O75604 1/20 0.42
▸ RECQL P46063 1/20 0.41
▸ ESR2 Q92731 1/20 0.41
▸ CTDSP1 Q9GZU7 1/20 0.41
▸ TDP1 Q9NUW8 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
SCHEMBL1308418 0.91 HPGD (0.56) HPGDLMNAGAAMAPK1POLB
SCHEMBL1308413 0.91 HPGD (0.56) HPGDLMNAGAAMAPK1POLB
SCHEMBL1305983 0.89 HPGD (0.59) HPGDLMNAGAAMAPK1POLB
SCHEMBL1305988 0.89 HPGD (0.59) HPGDLMNAGAAMAPK1POLB
SCHEMBL1306245 0.84 HPGD (0.49) HPGDLMNAGAAMAPK1POLB
SCHEMBL1305802 0.84 GAA (0.47) HPGDLMNAGAAPOLBRAB9A
SCHEMBL1306801 0.82 KDM4E (0.47) HPGDLMNAGAAMAPK1POLB
SCHEMBL1306509 0.82 KMT2A (0.43) HPGDLMNAGAAMAPK1RAB9A
SCHEMBL1307038 0.81 ALDH1A1 (0.51) HPGDLMNAGAAMAPK1POLB
SCHEMBL1307039 0.81 ALDH1A1 (0.51) HPGDLMNAGAAMAPK1POLB

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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