SCHEMBL1307100

SCHEMBL1307100

COc1ccc(CCNC(=O)C(=Cc2ccc(C(=O)O)c(C)c2)COc2cccc3ccccc23)cc1

nearest known ligand 0.45

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ PTPN1 P18031 2/20 0.45
▸ CAPN1 P07384 5/20 0.44
▸ PLAAT3 P53816 3/20 0.44
▸ PLAAT5 Q96KN8 3/20 0.44
▸ PLAAT2 Q9NWW9 3/20 0.44
▸ PLAAT4 Q9UL19 3/20 0.44
▸ HPGD P15428 1/20 0.43
▸ MCL1 Q07820 1/20 0.43
▸ KMT2A Q03164 3/20 0.42
▸ ALDH1A1 P00352 2/20 0.42
▸ LMNA P02545 2/20 0.42
▸ MEN1 O00255 2/20 0.42
▸ HTT P42858 1/20 0.42
▸ ALOX12 P18054 1/20 0.41
▸ POLB P06746 2/20 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
SCHEMBL1307208 0.92 TRPM4 (0.41) PLAAT3PLAAT5PLAAT2PLAAT4HPGD
SCHEMBL1306788 0.89 PTPN1 (0.48) PTPN1CAPN1PLAAT3PLAAT5PLAAT2
SCHEMBL1306787 0.89 PTPN1 (0.48) PTPN1CAPN1PLAAT3PLAAT5PLAAT2
SCHEMBL1306803 0.87 HPGD (0.43) HPGDMCL1KMT2AALDH1A1LMNA
SCHEMBL1307099 0.86 PTPN1 (0.48) PTPN1CAPN1PLAAT3PLAAT5PLAAT2
SCHEMBL1306610 0.84 HDAC3 (0.47) PTPN1PLAAT3PLAAT5PLAAT2PLAAT4
SCHEMBL1306614 0.84 HDAC3 (0.47) PTPN1PLAAT3PLAAT5PLAAT2PLAAT4
SCHEMBL1306824 0.83 L3MBTL1 (0.50) HPGDKMT2AALDH1A1LMNAMEN1
SCHEMBL1306510 0.82 TRPM4 (0.41) HPGDKMT2AALDH1A1MEN1POLB
SCHEMBL1326044 0.82 TRPM4 (0.41) HPGDKMT2AALDH1A1LMNAMEN1

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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