SCHEMBL28629168

SCHEMBL28629168

CCCCOc1ccc2c(c1)oc(=O)c1ccccc12

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ACHE P22303 13/20 0.67
BCHE P06276 9/20 0.67
MAOB P27338 2/20 0.67
ALDH1A1 P00352 2/20 0.67
MAPT P10636 2/20 0.67
KDM4E B2RXH2 1/20 0.67
LMNA P02545 1/20 0.67
L3MBTL1 Q9Y468 1/20 0.67
AKR1C3 P42330 1/20 0.65
AKR1C2 P52895 1/20 0.65
AKR1C1 Q04828 1/20 0.65
SIRT1 Q96EB6 1/20 0.61
CA12 O43570 1/20 0.57
CA1 P00915 1/20 0.57
CA2 P00918 1/20 0.57
MAOA P21397 1/20 0.57
CA4 P22748 1/20 0.57
CA5A P35218 1/20 0.57
CA7 P43166 1/20 0.57
CA5B Q9Y2D0 1/20 0.57

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
SCHEMBL29894611 1.00 ACHE (0.67) ACHEBCHEMAOBALDH1A1MAPT
SCHEMBL15972679 0.89 MAOB (0.67) ACHEBCHEMAOBALDH1A1MAPT
SCHEMBL15971607 0.87 MAOB (0.65) ACHEBCHEMAOBALDH1A1MAPT
SCHEMBL15973862 0.87 MAOB (0.65) ACHEBCHEMAOBALDH1A1MAPT
SCHEMBL7758792 0.87 KDM4E (0.60) ACHEBCHEMAOBALDH1A1MAPT
SCHEMBL29894593 0.86 KDM4E (0.76) ACHEBCHEALDH1A1MAPTKDM4E
SCHEMBL28627763 0.86 KDM4E (0.76) ACHEBCHEALDH1A1MAPTKDM4E
SCHEMBL15971787 0.86 MAOB (0.64) ACHEBCHEMAOBALDH1A1MAPT
SCHEMBL15973644 0.86 MAOB (0.67) ACHEBCHEMAOBALDH1A1MAPT
SCHEMBL15973648 0.86 MAOB (0.67) ACHEBCHEMAOBALDH1A1MAPT

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-113336735-B Urolithin compound, preparation method, pharmaceutical composition and application 常州大学 2022-09-30 CN disclosed
CN-113336735-A Urolithin compound, preparation method, pharmaceutical composition and application 常州大学 2021-09-03 CN disclosed