SCHEMBL8553182

SCHEMBL8553182

C=CCCCCOc1ccc(OCCCCC=C)cc1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 2/20 0.61
ALDH1A1 P00352 1/20 0.61
KCNA3 P22001 1/20 0.48
HTT P42858 1/20 0.45
PRSS1 P07477 2/20 0.42
MAOA P21397 2/20 0.42
ALDH2 P05091 1/20 0.42
MAOB P27338 1/20 0.42
PRMT1 Q99873 3/20 0.41
F2 P00734 2/20 0.41
ST14 Q9Y5Y6 2/20 0.41
LPAR3 Q9UBY5 2/20 0.41
PLAU P00749 1/20 0.41
GAA P10253 1/20 0.41
PRMT5 O14744 1/20 0.41
LPAR2 Q9HBW0 1/20 0.41
NR5A1 Q13285 1/20 0.41
SLC22A2 O15244 1/20 0.41
SLC22A1 O15245 1/20 0.41
TMPRSS2 O15393 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
SCHEMBL15365357 0.98 ALDH1A1 (0.59) L3MBTL1ALDH1A1KCNA3HTTPRSS1
SCHEMBL9699119 0.94 ALDH1A1 (0.56) L3MBTL1ALDH1A1KCNA3HTTMAOA
SCHEMBL14078006 0.92 ALDH1A1 (0.54) L3MBTL1ALDH1A1KCNA3HTTMAOA
SCHEMBL14078010 0.92 ALDH1A1 (0.54) L3MBTL1ALDH1A1KCNA3HTTPRMT1
SCHEMBL23741952 0.90 ALDH1A1 (0.53) L3MBTL1ALDH1A1KCNA3HTTMAOA
SCHEMBL21310723 0.90 L3MBTL1 (0.53) L3MBTL1ALDH1A1HTTDRD3KCNH2
SCHEMBL31267666 0.90 ALDH1A1 (0.53) L3MBTL1ALDH1A1HTTCYP2D6DRD3
SCHEMBL3112627 0.90 ALDH1A1 (0.57) L3MBTL1ALDH1A1HTTMAOAALDH2
SCHEMBL11325793 0.90 ALDH1A1 (0.53) L3MBTL1ALDH1A1DRD3KCNH2HRH3
SCHEMBL11323091 0.89 KCNA3 (0.67) L3MBTL1ALDH1A1KCNA3DRD3HDAC3

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-113087849-B Preparation method of high-toughness conductive hydrogel 长春工业大学 2022-05-10 CN claimed
CN-113087849-B Preparation method of high-toughness conductive hydrogel 长春工业大学 2022-05-10 CN disclosed
CN-113087849-B Preparation method of high-toughness conductive hydrogel 长春工业大学 2022-05-10 CN disclosed
US-5739358-A Synthesis of acetogenins REGENTS OF THE UNIVERSITY OF MINNESOTA (US) 1998-04-14 US disclosed
US-5677467-A Synthesis of acetogenins REGENTS OF THE UNIVERSITY OF MINNESOTA (US) 1997-10-14 US disclosed