SCHEMBL1306111

SCHEMBL1306111

COc1ccc(CCNC(=O)C(=CCCCC(C)C(=O)O)COc2cccc3ccccc23)cc1

nearest known ligand 0.46

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ PTPN1 P18031 2/20 0.46
▸ HPGD P15428 1/20 0.44
▸ MCL1 Q07820 1/20 0.44
▸ PLAAT3 P53816 3/20 0.43
▸ PLAAT5 Q96KN8 3/20 0.43
▸ PLAAT2 Q9NWW9 3/20 0.43
▸ PLAAT4 Q9UL19 3/20 0.43
▸ POLB P06746 2/20 0.43
▸ ALDH1A1 P00352 1/20 0.42
▸ LMNA P02545 1/20 0.42
▸ ALOX12 P18054 1/20 0.42
▸ KMT2A Q03164 3/20 0.41
▸ MEN1 O00255 1/20 0.41
▸ CARM1 Q86X55 1/20 0.39
▸ PRMT6 Q96LA8 1/20 0.39
▸ FPR2 P25090 1/20 0.39

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
SCHEMBL1307181 0.93 ALDH1A1 (0.43) PTPN1HPGDALDH1A1LMNAKMT2A
SCHEMBL1306596 0.92 ADAMTS5 (0.39) HPGDMCL1PLAAT3PLAAT5PLAAT2
SCHEMBL1306597 0.92 PLAAT3 (0.39) HPGDMCL1PLAAT3PLAAT5PLAAT2
SCHEMBL1307035 0.87 PTPN1 (0.48) PTPN1HPGDMCL1PLAAT3PLAAT5
SCHEMBL1307037 0.87 PTPN1 (0.48) PTPN1HPGDMCL1PLAAT3PLAAT5
SCHEMBL1306562 0.86 HPGD (0.44) HPGDMCL1ALDH1A1LMNAKMT2A
SCHEMBL1306109 0.86 HPGD (0.48) PTPN1HPGDMCL1PLAAT3PLAAT5
SCHEMBL1306108 0.86 HPGD (0.48) PTPN1HPGDMCL1PLAAT3PLAAT5
SCHEMBL1306689 0.84 PTPN1 (0.48) PTPN1HPGDMCL1PLAAT3PLAAT5
SCHEMBL1306686 0.84 PTPN1 (0.48) PTPN1HPGDMCL1PLAAT3PLAAT5

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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