SCHEMBL1306674

SCHEMBL1306674

COCCNCC(=CCCCCC(=O)OC)COc1cccc2ccccc12

nearest known ligand 0.48

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ CNR2 P34972 2/20 0.48
▸ CNR1 P21554 1/20 0.46
▸ KDM4E B2RXH2 2/20 0.44
▸ ALDH1A1 P00352 2/20 0.44
▸ HPGD P15428 2/20 0.44
▸ TDP1 Q9NUW8 1/20 0.44
▸ HTR1B P28222 5/20 0.42
▸ HTR1D P28221 2/20 0.41
▸ OGG1 O15527 1/20 0.41
▸ BTN3A1 O00481 1/20 0.41
▸ SLC6A4 P31645 2/20 0.40
▸ HRH1 P35367 1/20 0.40
▸ TSHR P16473 1/20 0.40
▸ CYP1A2 P05177 1/20 0.40
▸ CYP3A4 P08684 1/20 0.40
▸ CYP2C19 P33261 1/20 0.40
▸ KMT2A Q03164 1/20 0.39
▸ NR2E1 Q9Y466 1/20 0.38
▸ MAPT P10636 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
SCHEMBL1306671 1.00 CNR2 (0.48) CNR2CNR1KDM4EALDH1A1HPGD
SCHEMBL1306274 0.92 KDM4E (0.50) CNR2KDM4EALDH1A1HPGDTDP1
SCHEMBL1306279 0.92 KDM4E (0.50) CNR2KDM4EALDH1A1HPGDTDP1
SCHEMBL1306277 0.92 KDM4E (0.50) CNR2KDM4EALDH1A1HPGDTDP1
SCHEMBL1306459 0.90 HDAC1 (0.44) KDM4EALDH1A1HPGDTDP1HTR1B
SCHEMBL1306457 0.90 HDAC1 (0.44) KDM4EALDH1A1HPGDTDP1HTR1B
SCHEMBL1306454 0.90 HDAC1 (0.44) KDM4EALDH1A1HPGDTDP1HTR1B
SCHEMBL12115901 0.87 CNR2 (0.49) CNR2CNR1KDM4EALDH1A1HPGD
SCHEMBL2892936 0.86 CNR2 (0.42) CNR2CNR1KDM4EALDH1A1HPGD
SCHEMBL1306148 0.86 KMT2A (0.43) CNR2CNR1KDM4EALDH1A1HPGD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2913322-A2 Naphthalenyloxypropenyl derivatives having inhibitory activity against histone deacetylase and pharmaceutical composition comprising the same Korea Research Institute Of Chemical Technology (KR) 2015-09-02 — — EP disclosed
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
EP-2089354-A1 NAPHTHALENYLOXYPROPENYL DERIVATIVES HAVING INHIBITORY ACTIVITY AGAINST HISTONE DEACETYLASE AND PHARMACEUTICAL COMPOSITION COMPRISING THE SAME Korea Research Institute Of Chemical Technology (KR) 2009-08-19 — — EP disclosed
WO-2008054154-A1 NAPHTHALENYLOXYPROPENYL DERIVATIVES HAVING INHIBITORY ACTIVITY AGAINST HISTONE DEACETYLASE AND PHARMACEUTICAL COMPOSITION COMPRISING THE SAME KOREA RESEARCH INSTITUTE OF CHEMICAL TECHNOLOGY (KR) 2008-05-08 — — WO disclosed
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