SCHEMBL1306488

SCHEMBL1306488

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

nearest known ligand 0.48

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ L3MBTL1 Q9Y468 1/20 0.48
▸ NPC1 O15118 3/20 0.47
▸ ATM Q13315 1/20 0.47
▸ KDM4E B2RXH2 4/20 0.44
▸ ALDH1A1 P00352 3/20 0.44
▸ HSD17B10 Q99714 2/20 0.44
▸ SMN1; SMN2 Q16637 4/20 0.44
▸ CYP1A2 P05177 1/20 0.44
▸ CYP2C19 P33261 1/20 0.44
▸ HPGD P15428 1/20 0.43
▸ MAPK1 P28482 1/20 0.43
▸ CREBBP Q92793 1/20 0.43
▸ MAPT P10636 1/20 0.43
▸ TSHR P16473 1/20 0.43
▸ LMNA P02545 1/20 0.42
▸ RAB9A P51151 2/20 0.42
▸ KMT2A Q03164 1/20 0.42
▸ RCE1 Q9Y256 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
SCHEMBL2895798 0.93 KDM4E (0.46) L3MBTL1NPC1ATMKDM4EALDH1A1
SCHEMBL2895802 0.93 KDM4E (0.46) L3MBTL1NPC1ATMKDM4EALDH1A1
SCHEMBL1305919 0.91 SMN1; SMN2 (0.46) L3MBTL1NPC1ATMKDM4EALDH1A1
SCHEMBL1305922 0.91 SMN1; SMN2 (0.46) L3MBTL1NPC1ATMKDM4EALDH1A1
SCHEMBL1306574 0.88 TDP1 (0.46) KDM4EHSD17B10MAPT
SCHEMBL1306490 0.86 KDM4E (0.47) L3MBTL1NPC1ATMKDM4EALDH1A1
SCHEMBL1305476 0.84 MAPT (0.49) ALDH1A1SMN1; SMN2MAPTTSHRLMNA
SCHEMBL1306651 0.83 SCN1A (0.43) L3MBTL1NPC1KDM4EALDH1A1HSD17B10
SCHEMBL3815479 0.83 P2RX3 (0.58) L3MBTL1NPC1ATMKDM4EALDH1A1
SCHEMBL17043163 0.83 P2RX3 (0.58) L3MBTL1NPC1ATMKDM4EALDH1A1

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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