SCHEMBL1306109

SCHEMBL1306109

COC(=O)CCCCC=C(COc1cccc2ccccc12)C(=O)NCCc1ccc(OC)cc1

nearest known ligand 0.48

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ HPGD P15428 1/20 0.48
▸ MCL1 Q07820 1/20 0.48
▸ PTPN1 P18031 2/20 0.48
▸ PLAAT3 P53816 2/20 0.46
▸ PLAAT5 Q96KN8 2/20 0.46
▸ PLAAT2 Q9NWW9 2/20 0.46
▸ PLAAT4 Q9UL19 2/20 0.46
▸ POLB P06746 2/20 0.45
▸ ALDH1A1 P00352 1/20 0.43
▸ LMNA P02545 1/20 0.43
▸ ALOX12 P18054 1/20 0.43
▸ CNR1 P21554 1/20 0.43
▸ MEN1 O00255 1/20 0.41
▸ KMT2A Q03164 1/20 0.41
▸ CNR2 P34972 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
SCHEMBL1306108 1.00 HPGD (0.48) HPGDMCL1PTPN1PLAAT3PLAAT5
SCHEMBL1307037 0.93 PTPN1 (0.48) HPGDMCL1PTPN1PLAAT3PLAAT5
SCHEMBL1307035 0.93 PTPN1 (0.48) HPGDMCL1PTPN1PLAAT3PLAAT5
SCHEMBL1306595 0.92 CNR2 (0.41) HPGDMCL1PTPN1PLAAT3PLAAT5
SCHEMBL1306591 0.92 CNR2 (0.41) HPGDMCL1PTPN1PLAAT3PLAAT5
SCHEMBL1306594 0.92 CNR2 (0.41) HPGDMCL1PTPN1PLAAT3PLAAT5
SCHEMBL1306593 0.92 CNR2 (0.41) HPGDMCL1PTPN1PLAAT3PLAAT5
SCHEMBL1307180 0.92 ALDH1A1 (0.45) HPGDMCL1PTPN1ALDH1A1LMNA
SCHEMBL1307179 0.92 ALDH1A1 (0.45) HPGDMCL1PTPN1ALDH1A1LMNA
SCHEMBL1306689 0.92 PTPN1 (0.48) HPGDMCL1PTPN1PLAAT3PLAAT5

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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