SCHEMBL31337090

SCHEMBL31337090

COc1ccc(-c2oc3cc(O)cc(O)c3c(=O)c2O[C@@H]2O[C@H](COC(=O)/C=C/c3ccc(O)c(O)c3)[C@@H](O)[C@H](O)[C@H]2O)cc1O

nearest known ligand 0.89

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ AKR1B1 P15121 3/20 0.89
▸ CYP3A4 P08684 3/20 0.76
▸ CA12 O43570 3/20 0.76
▸ CA4 P22748 3/20 0.76
▸ CA7 P43166 3/20 0.76
▸ TYR P14679 1/20 0.76
▸ MMP9 P14780 1/20 0.69
▸ CA2 P00918 2/20 0.66
▸ EPHX2 P34913 4/20 0.63
▸ KDM4E B2RXH2 6/20 0.63
▸ GAA P10253 4/20 0.63
▸ MAPT P10636 4/20 0.63
▸ P4HB P07237 4/20 0.63
▸ POLB P06746 3/20 0.63
▸ ADRA2C P18825 2/20 0.63
▸ KDM1A O60341 2/20 0.63
▸ HMGB1 P09429 2/20 0.63
▸ MAOA P21397 2/20 0.63
▸ XDH P47989 2/20 0.63
▸ MAPK1 P28482 2/20 0.63

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
SCHEMBL30637476 0.91 AKR1B1 (0.93) AKR1B1CYP3A4CA12CA4CA7
SCHEMBL12377097 0.91 AKR1B1 (0.93) AKR1B1CYP3A4CA12CA4CA7
SCHEMBL16131012 0.91 AKR1B1 (0.93) AKR1B1CYP3A4CA12CA4CA7
SCHEMBL13973823 0.91 AKR1B1 (0.93) AKR1B1CYP3A4CA12CA4CA7
SCHEMBL13963384 0.91 AKR1B1 (0.93) AKR1B1CYP3A4CA12CA4CA7
SCHEMBL14340305 0.90 AKR1B1 (0.89) AKR1B1CYP3A4CA12CA4CA7
SCHEMBL14259871 0.88 AKR1B1 (0.75) AKR1B1CYP3A4CA12CA4CA7
SCHEMBL18307163 0.88 AKR1B1 (0.75) AKR1B1CYP3A4CA12CA4CA7
SCHEMBL18307173 0.87 AKR1B1 (0.83) AKR1B1CYP3A4CA12CA4CA7
Tiliroside SCHEMBL23598 0.86 CA12 (1.00) AKR1B1CYP3A4CA12CA4CA7

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
JP-2025085301-A ACTIVATOR FOR PROMOTING PROLIFERATION OF DERMAL PAPILLA CELLS オリザ油化株式会社 2025-06-05 — — JP disclosed
WO-2025022833-A1 ULTRAVIOLET ABSORBER, ANTIOXIDANT, ANTI-GLYCATION AGENT, EXTERNAL PREPARATION FOR SKIN, COSMETIC, METHOD FOR PRODUCING COMPOUND, AND COMPOUND 学校法人名城大学 2025-01-30 — — WO disclosed
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