SCHEMBL23258478

SCHEMBL23258478

CCc1cccc(=O)c(OC(=O)OC(C)(C)C)c1Br

nearest known ligand 0.43

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ GABRA1 P14867 2/20 0.43
▸ GABRB2 P47870 2/20 0.43
▸ ELANE P08246 1/20 0.38
▸ MTNR1A P48039 3/20 0.33
▸ MTNR1B P49286 3/20 0.33
▸ HSD17B10 Q99714 1/20 0.32
▸ RIPK1 Q13546 1/20 0.31
▸ BRD4 O60885 1/20 0.31
▸ CTSS P25774 1/20 0.31
▸ CTSK P43235 1/20 0.31
▸ L3MBTL1 Q9Y468 1/20 0.30
▸ NQO2 P16083 1/20 0.30
▸ DAO P14920 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
SCHEMBL23258869 0.78 ELANE (0.42) ELANEMTNR1AMTNR1BHSD17B10RIPK1
SCHEMBL18263215 0.74 ELANE (0.47) ELANEMTNR1AMTNR1BHSD17B10RIPK1
SCHEMBL23249868 0.70 ELANE (0.41) ELANEMTNR1AMTNR1BRIPK1CTSS
SCHEMBL23057965 0.70 BRD4 (0.41) GABRA1GABRB2ELANEHSD17B10BRD4
SCHEMBL29575324 0.69 ELANE (0.38) ELANEBRD4
SCHEMBL15867197 0.69 ELANE (0.38) ELANEBRD4
SCHEMBL23628554 0.69 KDM4E (0.40) ELANEHSD17B10
SCHEMBL2221010 0.69 ELANE (0.49) ELANEHSD17B10BRD4
SCHEMBL2761277 0.69 ELANE (0.49) ELANEHSD17B10L3MBTL1
SCHEMBL12948194 0.69 PPARA (0.49) GABRA1GABRB2ELANEHSD17B10BRD4

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-2021076938-A1 TROPOLONE DERIVATIVES AND TAUTOMERS THEREOF FOR IRON REGULATION IN ANIMALS Ambys Medicines, Inc. (US) 2021-04-22 — — WO disclosed
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