SCHEMBL28517488

SCHEMBL28517488

COc1ccc(-c2ccccc2)c(C=O)c1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ERN1 O75460 4/20 0.54
BACE1 P56817 3/20 0.53
ACHE P22303 2/20 0.53
ALDH1A1 P00352 4/20 0.51
TRIM24 O15164 1/20 0.50
TYR P14679 1/20 0.50
TRIM33 Q9UPN9 1/20 0.50
HDAC8 Q9BY41 2/20 0.49
PTPN1 P18031 1/20 0.49
SMN1; SMN2 Q16637 3/20 0.48
KDM4E B2RXH2 2/20 0.48
HPGD P15428 2/20 0.48
CYP1A2 P05177 2/20 0.47
CYP2C9 P11712 2/20 0.47
CYP2C19 P33261 2/20 0.47
LMNA P02545 1/20 0.47
HDAC3 O15379 1/20 0.47
HDAC1 Q13547 1/20 0.47
NCOR2 Q9Y618 1/20 0.47
NPC1 O15118 2/20 0.47

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
SCHEMBL7608939 0.89 ERN1 (0.58) ERN1BACE1ACHEALDH1A1TRIM24
SCHEMBL8782875 0.86 HDAC8 (0.59) ERN1BACE1ACHEALDH1A1TRIM24
SCHEMBL3677398 0.84 ERN1 (0.56) ERN1BACE1ACHEALDH1A1TRIM24
SCHEMBL15959114 0.84 MAOB (0.51) ERN1BACE1ACHEALDH1A1TRIM24
SCHEMBL5515488 0.83 ERN1 (0.51) ERN1ALDH1A1TRIM24TYRTRIM33
SCHEMBL14642539 0.83 ERN1 (0.51) ERN1BACE1ACHEALDH1A1TRIM24
SCHEMBL14840763 0.83 ERN1 (0.51) ERN1ALDH1A1TRIM24TYRTRIM33
SCHEMBL1983140 0.83 HDAC3 (0.52) ERN1BACE1ACHEALDH1A1TRIM24
SCHEMBL16397775 0.83 GSTP1 (0.53) ERN1ALDH1A1HDAC8CYP1A2CYP2C9
SCHEMBL23191292 0.81 GSTP1 (0.62) ERN1BACE1ACHEALDH1A1TRIM24

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-116003320-A Preparation method of phenanthridine compound 武汉理工大学深圳研究院 2023-04-25 CN disclosed
CN-110194744-B Compound for inhibiting beta-amyloid protein generation and preparation method and application thereof 云南大学 2022-11-11 CN disclosed
CN-108047048-B Phenylpropanoate compound and preparation method and application thereof 苏州沪云肿瘤研究中心股份有限公司 2021-01-12 CN disclosed
CN-110194744-A A kind of compound and its preparation method and application for inhibiting beta-amyloid protein to generate 云南大学 2019-09-03 CN disclosed
CN-102838635-B A kind of method preparing 2-oxa-phospholane SUZHOU UNIVERSITY (CN) 2015-11-18 CN disclosed
CN-102838633-B Method for preparing gamma-oxophosphonate UNIV SOOCHOW 2015-03-25 CN disclosed
CN-102838633-A Method for preparing gamma-oxophosphonate UNIV SOOCHOW 2012-12-26 CN disclosed
CN-102838635-A Method for preparing dioxaphospholane UNIV SOOCHOW 2012-12-26 CN disclosed