SCHEMBL7220499

SCHEMBL7220499

COc1c(Br)cc(CC(=O)O)cc1Br

nearest known ligand 0.69

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
THRB P10828 14/20 0.69
THRA P10827 13/20 0.63
PPARG P37231 1/20 0.55
HSD17B10 Q99714 2/20 0.54
ALOX15 P16050 1/20 0.54
TSHR P16473 1/20 0.54
TPMT P51580 1/20 0.47
PTGS1 P23219 1/20 0.46
AKR1C3 P42330 1/20 0.46
AKR1C2 P52895 1/20 0.46

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
SCHEMBL7073649 0.90 THRB (0.61) THRBTHRAPPARGHSD17B10ALOX15
SCHEMBL1302320 0.85 THRB (0.56) THRBTHRAPPARGHSD17B10ALOX15
SCHEMBL28680697 0.83 HSP90AB1 (0.56) THRBTHRAHSD17B10ALOX15TSHR
SCHEMBL7220264 0.83 THRB (0.53) THRBTHRAPPARGHSD17B10ALOX15
SCHEMBL5859452 0.82 THRB (0.62) THRBTHRAPPARGPTGS1AKR1C3
SCHEMBL287411 0.80 THRB (0.49) THRBTHRAPPARGTSHRPTGS1
SCHEMBL1525495 0.79 GAA (0.57) THRBTHRAPPARGHSD17B10ALOX15
SCHEMBL8081551 0.78 GAA (0.61) THRBTHRAPPARGHSD17B10TSHR
SCHEMBL499116 0.78 GAA (0.61) HSD17B10ALOX15TSHR
SCHEMBL4896480 0.78 THRB (0.64) THRBTHRAPPARGHSD17B10ALOX15

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-113943228-B Alkaloid pulmonin B derivative, synthesis thereof and application thereof in preventing and treating plant virus and germ diseases 天津师范大学 2023-10-27 CN claimed
CN-113943229-B Synthesis of alkaloid pulmonarin B and application of alkaloid pulmonarin B in prevention and treatment of plant virus and germ diseases 天津师范大学 2025-02-07 CN disclosed
CN-113943229-A Synthesis of alkaloid pulmonarinn B and application of alkaloid pulmonarinn B in prevention and treatment of plant viruses and bacterial diseases 天津师范大学 2022-01-18 CN disclosed
US-6596734-B1 Method for stimulating, regulating and modulating metabolism of fats in adipose tissue in mammals, comprising administering to a mammal an effective amount of a beta 3- adrenoreceptor agonist MOLECULAR DESIGN INTERNATIONAL, INC. 2003-07-22 US disclosed