SCHEMBL7220264

SCHEMBL7220264

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

nearest known ligand 0.53

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
THRB P10828 9/20 0.53
THRA P10827 8/20 0.49
HSD17B10 Q99714 2/20 0.45
TSHR P16473 2/20 0.45
ALOX15 P16050 1/20 0.45
MAPT P10636 1/20 0.44
HPGD P15428 1/20 0.44
TPMT P51580 1/20 0.42
APOBEC3A P31941 1/20 0.41
HTT P42858 1/20 0.41
APOBEC3G Q9HC16 1/20 0.41
PPARG P37231 1/20 0.40
NCOA1 Q15788 1/20 0.40
NCOA3 Q9Y6Q9 1/20 0.40
CA2 P00918 1/20 0.39
CA4 P22748 1/20 0.39

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
SCHEMBL7220499 0.83 THRB (0.69) THRBTHRAHSD17B10TSHRALOX15
SCHEMBL28680697 0.81 HSP90AB1 (0.56) THRBTHRAHSD17B10TSHRALOX15
SCHEMBL192064 0.79 PTGS2 (0.53) MAPT
SCHEMBL5899089 0.78 THRB (0.49) THRBTHRAHSD17B10ALOX15MAPT
SCHEMBL1462899 0.77 HDAC1 (0.57) MAPTHPGD
SCHEMBL22594983 0.75 LMNA (0.37) THRBTHRAMAPTHPGDHTT
SCHEMBL26623841 0.75 HSP90AB1 (0.49) THRBTHRAHSD17B10TSHRALOX15
SCHEMBL28706052 0.75 LMNA (0.49) THRBTHRAHSD17B10TSHRALOX15
SCHEMBL1461660 0.75 ALDH1A1 (0.46)
SCHEMBL985767 0.75 TPMT (0.55) HSD17B10TSHRMAPTHPGDTPMT

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
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