SCHEMBL28087116

SCHEMBL28087116

NC(=O)C=Cc1ccc(CCc2ccccc2)cc1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AKR1B10 O60218 3/20 0.53
AKR1B1 P15121 3/20 0.53
MMP1 P03956 2/20 0.53
MMP2 P08253 2/20 0.53
MMP9 P14780 2/20 0.53
GRIN1 Q05586 2/20 0.53
GRIN2B Q13224 2/20 0.53
POLB P06746 1/20 0.53
RECQL P46063 1/20 0.53
HDAC3 O15379 2/20 0.51
HDAC1 Q13547 2/20 0.51
HDAC2 Q92769 2/20 0.51
HDAC8 Q9BY41 2/20 0.51
MAOB P27338 1/20 0.51
PLAAT3 P53816 3/20 0.50
PLAAT5 Q96KN8 3/20 0.50
PLAAT2 Q9NWW9 3/20 0.50
PLAAT4 Q9UL19 3/20 0.50
HDAC4 P56524 1/20 0.50
HDAC7 Q8WUI4 1/20 0.50

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
SCHEMBL4776134 0.89 TBXAS1 (0.55) AKR1B10AKR1B1MMP1MMP2MMP9
SCHEMBL3225302 0.85 HDAC3 (0.67) AKR1B10AKR1B1MMP1MMP2MMP9
SCHEMBL23854259 0.85 HDAC3 (0.67) AKR1B10AKR1B1MMP1MMP2MMP9
SCHEMBL28380634 0.84 CYP4F2 (0.51) AKR1B10AKR1B1HDAC3HDAC1HDAC2
SCHEMBL27680047 0.83 MAPT (0.61) MMP1MMP2MMP9RECQLHDAC3
SCHEMBL28087042 0.83 MAPT (0.61) MMP1MMP2MMP9RECQLHDAC3
SCHEMBL3239009 0.82 MAPT (0.67) MMP1MMP2MMP9RECQLHDAC3
SCHEMBL20303732 0.82 MAPT (0.67) MMP1MMP2MMP9RECQLHDAC3
SCHEMBL649508 0.82 MAPT (0.67) MMP1MMP2MMP9RECQLHDAC3
SCHEMBL159753 0.82 MAPT (0.67) MMP1MMP2MMP9RECQLHDAC3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-109021035-B Phenylacetamide compound, preparation method and application thereof 云南中烟工业有限责任公司 2021-04-06 CN claimed
CN-114292302-B Compound extracted from wampee leaves, and preparation process and application thereof 中国热带农业科学院热带生物技术研究所 2023-10-24 CN disclosed
CN-114292302-A Compound extracted from clausena lansium leaves and preparation process and application thereof 中国热带农业科学院热带生物技术研究所 2022-04-08 CN disclosed
CN-109021035-B Phenylacetamide compound, preparation method and application thereof 云南中烟工业有限责任公司 2021-04-06 CN disclosed
CN-109021035-B Phenylacetamide compound, preparation method and application thereof 云南中烟工业有限责任公司 2021-04-06 CN disclosed
CN-109021035-A A kind of phenyl acetanides, preparation method and use 云南中烟工业有限责任公司 2018-12-18 CN disclosed
CN-109021035-A A kind of phenyl acetanides, preparation method and use 云南中烟工业有限责任公司 2018-12-18 CN disclosed
CN-104432097-B A kind of natural enriching substance of alleviating physical fatigue 广州渔夫堡医药科技有限公司 2016-08-17 CN disclosed