SCHEMBL28313263

SCHEMBL28313263

COc1ccc(C(=O)OCc2cc(=O)c(O)co2)cc1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.64
GAA P10253 1/20 0.64
PPARG P37231 1/20 0.58
PPARA Q07869 1/20 0.58
DAO P14920 4/20 0.57
ELANE P08246 3/20 0.57
TYR P14679 1/20 0.51

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
SCHEMBL7558334 0.91 POLB (0.63) POLBGAADAOELANETYR
SCHEMBL361178 0.88 POLB (0.61) POLBGAADAOELANETYR
SCHEMBL20543140 0.86 PPARG (0.60) POLBGAAPPARGPPARADAO
SCHEMBL20543199 0.85 PPARG (0.59) POLBGAAPPARGPPARADAO
SCHEMBL3220810 0.84 DAO (0.63) POLBGAADAOELANETYR
SCHEMBL361231 0.83 POLB (0.61) POLBGAADAOELANETYR
SCHEMBL7550581 0.81 POLB (0.60) POLBGAADAOELANETYR
SCHEMBL360885 0.79 POLB (0.57) POLBGAADAOELANETYR
SCHEMBL7551138 0.78 POLB (0.53) POLBGAADAOELANETYR
SCHEMBL7554264 0.77 DAO (0.54) POLBGAADAOELANETYR

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
CN-110156733-A A kind of tyrosinase inhibitor and its application 润和生物医药科技(汕头)有限公司 2019-08-23 CN disclosed