SCHEMBL30486245

SCHEMBL30486245

C=CC(=O)Oc1c(Br)cc(Br)cc1C(C)C

nearest known ligand 0.41

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
GABRA1 P14867 1/20 0.41
GABRB1 P18505 1/20 0.41
HSD17B10 Q99714 1/20 0.37
THRB P10828 6/20 0.37
THRA P10827 5/20 0.37
TSHR P16473 1/20 0.35
NLRP3 Q96P20 1/20 0.32
LMNA P02545 1/20 0.31
ALOX12 P18054 1/20 0.31
NPSR1 Q6W5P4 1/20 0.31

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
SCHEMBL447804 1.00 GABRA1 (0.41) GABRA1GABRB1HSD17B10THRBTHRA
SCHEMBL448738 0.86 THRB (0.35) GABRA1GABRB1HSD17B10THRBTHRA
SCHEMBL30004700 0.86 THRB (0.35) GABRA1GABRB1HSD17B10THRBTHRA
SCHEMBL316904 0.84 HSD17B10 (0.42) GABRA1GABRB1HSD17B10THRBTHRA
SCHEMBL7066921 0.81 THRB (0.43) GABRA1GABRB1HSD17B10THRBTHRA
SCHEMBL3742121 0.79 TSHR (0.46) GABRA1GABRB1HSD17B10THRBTHRA
SCHEMBL7618929 0.79 GABRA1 (0.41) GABRA1GABRB1HSD17B10THRBTHRA
SCHEMBL5899725 0.75 HSD17B10 (0.36) HSD17B10THRB
SCHEMBL10587663 0.75 HSD17B10 (0.36) HSD17B10THRB
SCHEMBL7067451 0.74 GPR35 (0.42) GABRA1GABRB1HSD17B10THRBTHRA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-112424245-B Composition comprising a styrene-isobutylene block copolymer and an ethylenically unsaturated monomer 3M创新有限公司 2024-09-17 CN disclosed
CN-114585604-B Dicarboxylic acid compounds, inorganic particles and compositions thereof treated with dicarboxylic acid compounds 3M创新有限公司 2024-02-02 CN disclosed
CN-113840886-B Composition comprising a styrene-isoprene block copolymer and an ethylenically unsaturated monomer 3M创新有限公司 2023-07-04 CN disclosed