SCHEMBL1325518

SCHEMBL1325518

Cc1cc(/C=C(\COc2cccc3ccccc23)C(=O)NCC(C)(C)CN(C)C)ccc1C(=O)O

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ TRPM4 Q8TD43 1/20 0.41
▸ POLB P06746 3/20 0.38
▸ G6PD P11413 1/20 0.38
▸ KDM4E B2RXH2 6/20 0.38
▸ ALDH1A1 P00352 4/20 0.38
▸ HPGD P15428 3/20 0.38
▸ TDP1 Q9NUW8 1/20 0.38
▸ DAPK1 P53355 1/20 0.36
▸ PIM3 Q86V86 1/20 0.36
▸ TSHR P16473 1/20 0.36
▸ HTT P42858 2/20 0.36
▸ CYP1A2 P05177 1/20 0.36
▸ CYP3A4 P08684 1/20 0.36
▸ CYP2C9 P11712 1/20 0.36
▸ CYP2C19 P33261 1/20 0.36
▸ MEN1 O00255 3/20 0.35
▸ KMT2A Q03164 3/20 0.35
▸ OGG1 O15527 1/20 0.35
▸ MAPT P10636 4/20 0.35
▸ LMNA P02545 2/20 0.34

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
SCHEMBL1306510 0.83 TRPM4 (0.41) TRPM4POLBG6PDKDM4EALDH1A1
SCHEMBL1306803 0.82 HPGD (0.43) TRPM4POLBG6PDKDM4EALDH1A1
SCHEMBL1326044 0.81 TRPM4 (0.41) TRPM4POLBG6PDKDM4EALDH1A1
SCHEMBL1306245 0.79 HPGD (0.49) TRPM4POLBKDM4EALDH1A1HPGD
SCHEMBL1307208 0.79 TRPM4 (0.41) TRPM4POLBG6PDKDM4EALDH1A1
SCHEMBL1305803 0.79 DHODH (0.43) TRPM4POLBG6PDKDM4EALDH1A1
SCHEMBL1306695 0.79 TRPM4 (0.42) TRPM4POLBG6PDKDM4EALDH1A1
SCHEMBL1307100 0.78 PTPN1 (0.45) POLBALDH1A1HPGDHTTMEN1
SCHEMBL1306824 0.78 L3MBTL1 (0.50) POLBKDM4EALDH1A1HPGDTDP1
SCHEMBL1306170 0.77 ALDH1A1 (0.48) POLBKDM4EALDH1A1HPGDTSHR

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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