SCHEMBL29630709

SCHEMBL29630709

COc1cc2c(cc1OC)C(=O)N(Cc1ccccc1)C2

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ACHE P22303 4/20 0.48
BCHE P06276 3/20 0.48
PDE4D Q08499 2/20 0.48
BACE1 P56817 2/20 0.48
FAAH O00519 1/20 0.48
ABCC4 O15439 1/20 0.48
CACNA1F O60840 1/20 0.48
PDE5A O76074 1/20 0.48
ABCB11 O95342 1/20 0.48
APP P05067 1/20 0.48
CHRM2 P08172 1/20 0.48
ABCB1 P08183 1/20 0.48
CYP3A4 P08684 1/20 0.48
CHRM5 P08912 1/20 0.48
ADRA2A P08913 1/20 0.48
CHRM1 P11229 1/20 0.48
ADRA2C P18825 1/20 0.48
DRD4 P21917 1/20 0.48
SLC6A2 P23975 1/20 0.48
MAOB P27338 1/20 0.48

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
SCHEMBL28638401 0.92 HDAC4 (0.48) PDE4DCYP3A4PDE4APDE4BPDE4C
SCHEMBL28647745 0.87 HDAC1 (0.47) CYP3A4KDM4EHDAC4HDAC1HDAC6
SCHEMBL31134765 0.86 GRM5 (0.60) ACHEBCHEPDE4DBACE1FAAH
SCHEMBL28638165 0.85 MEN1 (0.57) CYP3A4DRD4KDM4EHDAC4HDAC1
SCHEMBL1002943 0.82 ADAM17 (0.57) ACHEBACE1HTR2BSIGMAR1KDM4E
SCHEMBL20553902 0.82 ADAM17 (0.57) ACHECYP3A4KDM4EHDAC4HDAC1
SCHEMBL28633468 0.81 KMT2A (0.46) DRD4KDM4EHDAC4HDAC1HDAC6
SCHEMBL29322848 0.79 KMT2A (0.51) ACHECYP3A4DRD4KDM4E
SCHEMBL30604579 0.79 GRM5 (0.58) DRD4PDE4A
SCHEMBL28641201 0.79 GRM5 (0.58) DRD4PDE4A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-114507177-B Method for preparing functionalized 2- (3-oxo-isoindoline-1-subunit) methyl acetate from carbon dioxide 常州大学 2023-11-21 CN disclosed
CN-114507177-A Method for preparing functionalized 2- (3-oxoisoindoline-1-subunit) methyl acetate from carbon dioxide 常州大学 2022-05-17 CN disclosed