SCHEMBL28089891

SCHEMBL28089891

C=CC(=O)OCCc1c(Br)cc(Br)c(C)c1Br.C=CC(=O)Oc1c(Br)cc(Br)c(C)c1Br

nearest known ligand 0.36

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
TSHR P16473 5/20 0.36
ALDH1A1 P00352 3/20 0.36
TP53 P04637 2/20 0.36
HIF1A Q16665 2/20 0.36
HSD17B10 Q99714 1/20 0.36
THRB P10828 4/20 0.35
HPGD P15428 1/20 0.34
CYP3A4 P08684 1/20 0.33

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
SCHEMBL28319484 0.91 TSHR (0.43) TSHRALDH1A1TP53HIF1AHSD17B10
SCHEMBL28319564 0.85 THRB (0.35) ALDH1A1HSD17B10THRBHPGD
SCHEMBL31339995 0.76 THRB (0.39) TSHRTHRBHPGD
SCHEMBL10795523 0.76 TSHR (0.34) TSHRALDH1A1TP53HIF1AHSD17B10
SCHEMBL6435118 0.75 THRB (0.36) HSD17B10THRBHPGD
SCHEMBL2790588 0.74 TSHR (0.48) TSHRALDH1A1TP53HIF1AHSD17B10
SCHEMBL28089893 0.73
SCHEMBL10607568 0.72 TSHR (0.39) TSHRTHRB
SCHEMBL11011685 0.71 THRB (0.45) TSHRALDH1A1HSD17B10THRB
SCHEMBL11403626 0.70 TSHR (0.55) TSHRALDH1A1TP53HIF1AHSD17B10

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-105765012-A clear coating composition 大阪有机化学工业株式会社 2016-07-13 CN disclosed