SCHEMBL13293354

SCHEMBL13293354

C#Cc1ccc(-c2ccc(C#CCOCC)cc2)cc1

nearest known ligand 0.42

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ KCNH2 Q12809 1/20 0.38
▸ HTT P42858 1/20 0.35
▸ L3MBTL1 Q9Y468 1/20 0.35
▸ CHRNA7 P36544 2/20 0.34
▸ CHRNA10 Q9GZZ6 2/20 0.34
▸ CHRNA9 Q9UGM1 2/20 0.34
▸ LMNA P02545 1/20 0.34
▸ MMP2 P08253 2/20 0.33
▸ MMP12 P39900 2/20 0.33
▸ KDM4E B2RXH2 1/20 0.33
▸ CYP1A1 P04798 1/20 0.32
▸ CYP1A2 P05177 1/20 0.32
▸ CYP1B1 Q16678 1/20 0.32
▸ MCHR1 Q99705 1/20 0.32
▸ NPSR1 Q6W5P4 1/20 0.32
▸ KEAP1 Q14145 1/20 0.31
▸ HDAC8 Q9BY41 1/20 0.31
▸ GAA P10253 1/20 0.30

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
Ether SCHEMBL11190535 0.83 HDAC8 (0.38) CYP1A1CYP1A2CYP1B1MCHR1KEAP1
SCHEMBL9209153 0.77 KCNH2 (0.41) KCNH2HTTL3MBTL1LMNAMMP2
SCHEMBL5243364 0.76 NPSR1 (0.53) KCNH2HTTLMNAMMP2MMP12
SCHEMBL2229991 0.73 GABRP (0.41) KCNH2HTTL3MBTL1LMNAKDM4E
SCHEMBL10984566 0.72 NQO1 (0.58) KDM4ECYP1A2NPSR1GAA
SCHEMBL9638565 0.72 CYP1A2 (0.52) KCNH2MMP2MMP12CYP1A1CYP1A2
SCHEMBL13847091 0.71 KCNH2 (0.31) KCNH2
SCHEMBL139611 0.69 HDAC8 (0.50) CYP1A1CYP1A2CYP1B1KEAP1HDAC8
SCHEMBL139848 0.69 HDAC8 (0.50) CYP1A1CYP1A2CYP1B1KEAP1HDAC8
SCHEMBL3016789 0.68 HDAC8 (0.35) KCNH2HTTL3MBTL1HDAC8

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
EP-2202238-A1 Nucleotide Compounds including a rigid linker Applied Biosystems, LLC (US) 2010-06-30 — — EP disclosed
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