Artepillin

Artepillin

SCHEMBL7128580

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

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Full drug profile on Sugi Atlas →

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
AKR1C3 P42330 14/20 1.00
AKR1B10 O60218 2/20 1.00
AKR1B1 P15121 2/20 1.00
MMP2 P08253 1/20 1.00
PAK1 Q13153 1/20 1.00
ALOX5 P09917 2/20 0.62
PTGES O14684 1/20 0.62
NFKB1 P19838 1/20 0.62
STAT3 P40763 1/20 0.62
NFKB2 Q00653 1/20 0.62
RELA Q04206 1/20 0.62
PTPN1 P18031 2/20 0.61
AKR1C2 P52895 12/20 0.60
AKR1C4 P17516 1/20 0.50
MEN1 O00255 1/20 0.49
KMT2A Q03164 1/20 0.49
PKM P14618 1/20 0.49
PTGS1 P23219 1/20 0.49
PTGS2 P35354 1/20 0.49

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
Artepillin SCHEMBL1229229 1.00 AKR1C3 (1.00) AKR1C3AKR1B10AKR1B1MMP2PAK1
Artepillin SCHEMBL2138507 1.00 AKR1C3 (1.00) AKR1C3AKR1B10AKR1B1MMP2PAK1
SCHEMBL25890163 0.95 AKR1C3 (0.91) AKR1C3AKR1B10AKR1B1MMP2PAK1
SCHEMBL26422962 0.95 AKR1C3 (0.91) AKR1C3AKR1B10AKR1B1MMP2PAK1
SCHEMBL8467360 0.92 AKR1C3 (0.86) AKR1C3AKR1B10AKR1B1MMP2PAK1
SCHEMBL8467358 0.92 AKR1C3 (0.86) AKR1C3AKR1B10AKR1B1MMP2PAK1
SCHEMBL23742688 0.92 AKR1C3 (0.84) AKR1C3AKR1B10AKR1B1MMP2PAK1
SCHEMBL11036838 0.92 AKR1C3 (0.84) AKR1C3AKR1B10AKR1B1MMP2PAK1
SCHEMBL29574915 0.92 AKR1C3 (0.84) AKR1C3AKR1B10AKR1B1MMP2PAK1
SCHEMBL30378377 0.92 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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
JP-2003055297-A NEW COMPOUND YAMADA BEE FARM 2003-02-26 JP disclosed