SCHEMBL6119223

SCHEMBL6119223

COC(=O)c1cc(CBr)cc(C(=O)OC)c1Br

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KDM4E B2RXH2 4/20 0.46
▸ ALDH1A1 P00352 4/20 0.46
▸ GAA P10253 4/20 0.46
▸ HSD17B10 Q99714 3/20 0.46
▸ TSHR P16473 2/20 0.46
▸ MAPT P10636 2/20 0.46
▸ HPGD P15428 2/20 0.46
▸ ALOX15 P16050 1/20 0.46
▸ CYP4F2 P78329 2/20 0.41
▸ CYP4A11 Q02928 2/20 0.41
▸ CA12 O43570 2/20 0.39
▸ CA1 P00915 2/20 0.39
▸ CA2 P00918 2/20 0.39
▸ CA7 P43166 2/20 0.39
▸ CA9 Q16790 2/20 0.39
▸ CA14 Q9ULX7 2/20 0.39
▸ PDK2 Q15119 1/20 0.39
▸ PDK4 Q16654 1/20 0.39
▸ POLB P06746 1/20 0.39
▸ HTT P42858 2/20 0.38

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
SCHEMBL6119323 0.88 CYP4F2 (0.47) KDM4EALDH1A1GAAHSD17B10TSHR
SCHEMBL6120486 0.88 KDM4E (0.41) KDM4EALDH1A1GAAHSD17B10TSHR
SCHEMBL26596781 0.85 KDM4E (0.46) KDM4EALDH1A1GAAHSD17B10TSHR
SCHEMBL6120235 0.84 NOTUM (0.46) KDM4EALDH1A1GAAHSD17B10TSHR
SCHEMBL25945609 0.82 KDM4E (0.41) KDM4EALDH1A1GAAHSD17B10TSHR
SCHEMBL6119084 0.82 KCNK3 (0.40) KDM4EALDH1A1GAAHSD17B10TSHR
SCHEMBL603667 0.80 ALDH1A1 (0.50) KDM4EALDH1A1GAAHSD17B10TSHR
SCHEMBL6439053 0.79 NR4A2 (0.46) KDM4EALDH1A1GAAHSD17B10TSHR
SCHEMBL1022658 0.79 ALDH1A1 (0.53) KDM4EALDH1A1GAAHSD17B10TSHR
SCHEMBL29943277 0.79 ALDH1A1 (0.53) KDM4EALDH1A1GAAHSD17B10TSHR

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
WO-2012067663-A1 COMPOUNDS GLAXO GROUP LIMITED (GB) 2012-05-24 — — WO disclosed
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