SCHEMBL1306174

SCHEMBL1306174

CC(CCCC=C(COc1ccc2ccccc2c1)C(=O)NC1CCN(C2CCCCC2)C1)C(=O)O

nearest known ligand 0.39

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ HPGD P15428 2/20 0.39
▸ RAB9A P51151 2/20 0.39
▸ HTT P42858 1/20 0.39
▸ SLC6A5 Q9Y345 3/20 0.39
▸ SIGMAR1 Q99720 6/20 0.38
▸ NPC1 O15118 1/20 0.38
▸ SMN1; SMN2 Q16637 1/20 0.38
▸ HRH3 Q9Y5N1 4/20 0.37
▸ TP53 P04637 1/20 0.37
▸ MAPT P10636 1/20 0.36

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
SCHEMBL1305930 0.96 HPGD (0.41) HPGDRAB9AHTTSLC6A5NPC1
SCHEMBL1305319 0.89 HPGD (0.44) HPGDRAB9AHTTSLC6A5SIGMAR1
SCHEMBL1305316 0.89 HPGD (0.44) HPGDRAB9AHTTSLC6A5SIGMAR1
SCHEMBL1306171 0.88 SIGMAR1 (0.41) HPGDRAB9AHTTSLC6A5SIGMAR1
SCHEMBL1306172 0.88 SIGMAR1 (0.41) HPGDRAB9AHTTSLC6A5SIGMAR1
SCHEMBL1305734 0.86 HDAC1 (0.45) HPGDRAB9AHTTSLC6A5SIGMAR1
SCHEMBL29488468 0.86 HDAC1 (0.45) HPGDRAB9AHTTSLC6A5SIGMAR1
SCHEMBL1305731 0.86 HDAC1 (0.45) HPGDRAB9AHTTSLC6A5SIGMAR1
SCHEMBL1306649 0.85 HPGD (0.46) HPGDRAB9AHTTSLC6A5NPC1
SCHEMBL1306644 0.85 HPGD (0.46) HPGDRAB9AHTTSLC6A5NPC1

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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