SCHEMBL8467360

SCHEMBL8467360

CC(C)=CCc1cc(C=CC(=O)O)cc(O)c1O

nearest known ligand 0.86

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AKR1C3 P42330 10/20 0.86
AKR1B10 O60218 2/20 0.86
AKR1B1 P15121 2/20 0.86
MMP2 P08253 1/20 0.86
PAK1 Q13153 1/20 0.86
ALOX5 P09917 2/20 0.58
PTGES O14684 1/20 0.58
NFKB1 P19838 1/20 0.58
STAT3 P40763 1/20 0.58
NFKB2 Q00653 1/20 0.58
RELA Q04206 1/20 0.58
PTPN1 P18031 5/20 0.57
AKR1C2 P52895 8/20 0.56
OSBP P22059 1/20 0.55
MGAM O43451 1/20 0.48
MAOA P21397 1/20 0.48
MAOB P27338 1/20 0.48
XDH P47989 1/20 0.48
AKR1C4 P17516 1/20 0.47
PTGS1 P23219 1/20 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
SCHEMBL8467358 1.00 AKR1C3 (0.86) AKR1C3AKR1B10AKR1B1MMP2PAK1
Artepillin SCHEMBL2138507 0.92 AKR1C3 (1.00) AKR1C3AKR1B10AKR1B1MMP2PAK1
Artepillin SCHEMBL7128580 0.92 AKR1C3 (1.00) AKR1C3AKR1B10AKR1B1MMP2PAK1
Artepillin SCHEMBL1229229 0.92 AKR1C3 (1.00) AKR1C3AKR1B10AKR1B1MMP2PAK1
SCHEMBL25890163 0.88 AKR1C3 (0.91) AKR1C3AKR1B10AKR1B1MMP2PAK1
SCHEMBL26422962 0.88 AKR1C3 (0.91) AKR1C3AKR1B10AKR1B1MMP2PAK1
SCHEMBL23742688 0.85 AKR1C3 (0.84) AKR1C3AKR1B10AKR1B1MMP2PAK1
SCHEMBL11036838 0.85 AKR1C3 (0.84) AKR1C3AKR1B10AKR1B1MMP2PAK1
SCHEMBL29574915 0.85 AKR1C3 (0.84) AKR1C3AKR1B10AKR1B1MMP2PAK1
SCHEMBL23742687 0.85 AKR1C3 (0.84) AKR1C3AKR1B10AKR1B1MMP2PAK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
JP-11349526-A None JP disclosed
CN-117794534-A Compositions for modulating cortisol homeostasis and improving sleep quality and methods of use and preparation thereof 尤尼根公司 2024-03-29 CN disclosed
JP-H11349526-A NEW COMPOUND OR ITS PHARMACOLOGICALLY ACCEPTABLE SALT AND ANTIOXIDANT CONTAINING THE SAME AS ACTIVE INGREDIENT OYO SEIKAGAKU KENKYUSHO 1999-12-21 JP disclosed