SCHEMBL5017280

SCHEMBL5017280

O=C(CCCCC=C(COc1cccc2ccccc12)C(=O)NCCN1CCCCC1)NO

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HRH3 Q9Y5N1 4/20 0.45
▸ HTR2A P28223 2/20 0.45
▸ HTR7 P34969 2/20 0.45
▸ HTR6 P50406 2/20 0.45
▸ TDP1 Q9NUW8 2/20 0.44
▸ KDM4E B2RXH2 4/20 0.39
▸ HSD17B10 Q99714 2/20 0.39
▸ PREP P48147 1/20 0.39
▸ ADAMTS4 O75173 1/20 0.39
▸ ADAMTS5 Q9UNA0 1/20 0.39
▸ PRMT5 O14744 1/20 0.39
▸ MAPT P10636 3/20 0.39
▸ HTT P42858 1/20 0.39
▸ ALDH1A1 P00352 2/20 0.39
▸ HPGD P15428 2/20 0.39
▸ OGG1 O15527 1/20 0.39
▸ BCHE P06276 2/20 0.38
▸ MEN1 O00255 1/20 0.38
▸ TSHR P16473 1/20 0.38
▸ KMT2A Q03164 1/20 0.38

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
SCHEMBL29525119 0.85 KDM4E (0.48) KDM4EHSD17B10ALDH1A1HPGDMEN1
SCHEMBL1305790 0.85 KDM4E (0.48) KDM4EHSD17B10ALDH1A1HPGDMEN1
SCHEMBL1305792 0.85 KDM4E (0.48) KDM4EHSD17B10ALDH1A1HPGDMEN1
SCHEMBL1305957 0.84 TDP1 (0.45) HRH3HTR2AHTR7HTR6TDP1
SCHEMBL1305953 0.84 TDP1 (0.45) HRH3HTR2AHTR7HTR6TDP1
SCHEMBL21410409 0.84 PREP (0.41) PREPADAMTS4ADAMTS5ALDH1A1
SCHEMBL5026089 0.84 MEN1 (0.47) HRH3TDP1KDM4EHSD17B10PRMT5
SCHEMBL29488485 0.83 HPGD (0.45) TDP1KDM4EMAPTALDH1A1HPGD
SCHEMBL1305817 0.83 HPGD (0.45) TDP1KDM4EMAPTALDH1A1HPGD
SCHEMBL1305811 0.83 HPGD (0.45) TDP1KDM4EMAPTALDH1A1HPGD

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1945606-A1 ALKYLCARBAMOYL NAPHTHALENYLOXY- OCTENOYLHYDROXYAMIDE DERIVATIVES HAVING INHIBITORY ACTIVITY AGAINST HISTONE DEACETYLASE AND PREPARATION THEREOF Korea Research Institute of Chemical Technology (KR) 2008-07-23 — — EP claimed
WO-2007052938-A1 ALKYLCARBAMOYL NAPHTHALENYLOXY- OCTENOYLHYDROXYAMIDE DERIVATIVES HAVING INHIBITORY ACTIVITY AGAINST HISTONE DEACETYLASE AND PREPARATION THEREOF KOREA RESEARCH INSTITUTE OF CHEMICAL TECHNOLOGY (KR) 2007-05-10 — — WO claimed
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