SCHEMBL7714546

SCHEMBL7714546

C=CC(=O)Oc1cc(C(C)CC)c(Br)cc1Br

nearest known ligand 0.36

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
THRB P10828 3/20 0.36
THRA P10827 1/20 0.36
TSHR P16473 3/20 0.33
HSD17B10 Q99714 1/20 0.31
CYP1A2 P05177 1/20 0.31
CYP3A4 P08684 1/20 0.31
CYP2C9 P11712 1/20 0.31
CYP2C19 P33261 1/20 0.31
TDP1 Q9NUW8 1/20 0.30

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
SCHEMBL30004700 0.77 THRB (0.35) THRBTHRATSHRHSD17B10TDP1
SCHEMBL448738 0.77 THRB (0.35) THRBTHRATSHRHSD17B10TDP1
SCHEMBL14173090 0.72 RORC (0.54) THRBTHRATSHR
SCHEMBL17707902 0.72 L3MBTL1 (0.42) THRBTHRATSHRCYP1A2
SCHEMBL11155258 0.68 THRB (0.33) THRBTHRA
SCHEMBL19334632 0.68 THRB (0.49) THRBTHRATSHR
SCHEMBL39880 0.67 ABL1 (0.49) THRBTHRATSHRCYP1A2CYP2C19
SCHEMBL13784561 0.67 THRB (0.57) THRBTSHRCYP2C9TDP1
SCHEMBL7065851 0.67 THRB (0.40) THRBTHRATSHRHSD17B10CYP1A2
SCHEMBL11011685 0.67 THRB (0.45) THRBTHRATSHRHSD17B10

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-6416838-B1 CROSSLINKABLE MIXTURE CONTAINING UNSATURATED ESTER AND AMIDE MONOMERS, POLYMER HAVING SPECIFIED MOLECULAR RANGE AND SURFACE-MODIFIED PARTICLES 3M INNOVATIVE PROPERTIES COMPANY 2002-07-09 US disclosed