SCHEMBL28388624

SCHEMBL28388624

[CH2]CCOc1ccc(-c2ccc(C#N)cc2)cc1

nearest known ligand 0.60

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
MMP2 P08253 6/20 0.60
HRH3 Q9Y5N1 10/20 0.55
HRH2 P25021 9/20 0.55
HRH1 P35367 9/20 0.55
MMP3 P08254 5/20 0.55
MMP1 P03956 1/20 0.55
MMP9 P14780 1/20 0.55
MMP13 P45452 1/20 0.55
HDAC1 Q13547 1/20 0.51
HDAC2 Q92769 1/20 0.51
ALDH1A1 P00352 1/20 0.49
MAPT P10636 1/20 0.49

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
SCHEMBL72415 0.94 ALDH1A1 (0.53) MMP2HRH3HRH2HRH1MMP3
SCHEMBL9653965 0.91 MMP2 (0.58) MMP2HRH3HRH2HRH1MMP3
SCHEMBL9852404 0.89 MMP3 (0.57) MMP2HRH3HRH2HRH1MMP3
SCHEMBL28887343 0.87 HDAC1 (0.58) MMP2HRH3HRH2HRH1MMP3
SCHEMBL16798363 0.87 HDAC1 (0.58) MMP2HRH3HRH2HRH1MMP3
SCHEMBL26602050 0.86 MMP3 (0.66) MMP2HRH3HRH2HRH1MMP3
SCHEMBL29444063 0.84 HDAC1 (0.67) MMP2HRH3HRH2HRH1MMP3
SCHEMBL16841044 0.84 HDAC1 (0.67) MMP2HRH3HRH2HRH1MMP3
SCHEMBL18079151 0.84 HDAC1 (0.67) MMP2HRH3HRH2HRH1MMP3
SCHEMBL2779902 0.84 HRH3 (0.53) MMP2HRH3HRH2HRH1MMP3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-113299988-A In-situ polymerization electrolyte and use method and application thereof 广州天赐高新材料股份有限公司 2021-08-24 CN claimed
CN-108219702-B Acrylic acid pressure-sensitive adhesive protection film 上海保立佳新材料有限公司 2020-11-27 CN claimed
CN-108192019-B Acrylic pressure-sensitive adhesive 上海保立佳新材料有限公司 2020-03-20 CN claimed
CN-113299988-A In-situ polymerization electrolyte and use method and application thereof 广州天赐高新材料股份有限公司 2021-08-24 CN disclosed
CN-108219702-B Acrylic acid pressure-sensitive adhesive protection film 上海保立佳新材料有限公司 2020-11-27 CN disclosed
CN-108192019-B Acrylic pressure-sensitive adhesive 上海保立佳新材料有限公司 2020-03-20 CN disclosed