SCHEMBL23259205

SCHEMBL23259205

CC(=O)N1CC=C(c2ccc(OC(=O)OC(C)(C)C)c(=O)cc2)CC1

nearest known ligand 0.51

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ QDPR P09417 2/20 0.51
▸ NAMPT P43490 3/20 0.44
▸ PDK4 Q16654 1/20 0.42
▸ GRM1 Q13255 8/20 0.39
▸ GRM5 P41594 7/20 0.39
▸ BRD4 O60885 1/20 0.38
▸ CDK7 P50613 1/20 0.38
▸ CDK13 Q14004 1/20 0.38
▸ CDK12 Q9NYV4 1/20 0.38
▸ HTR6 P50406 1/20 0.37
▸ SUV39H2 Q9H5I1 1/20 0.36
▸ POLB P06746 1/20 0.36
▸ ALOX15 P16050 1/20 0.36

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
SCHEMBL23259228 0.87 NAMPT (0.46) QDPRNAMPTPDK4GRM1GRM5
SCHEMBL23258524 0.78 ACMSD (0.38) —
SCHEMBL23259206 0.74 QDPR (0.47) QDPRNAMPT
SCHEMBL14496802 0.73 QDPR (0.70) QDPRNAMPTALOX15
SCHEMBL23258874 0.73 ELANE (0.45) BRD4
SCHEMBL23258886 0.71 ELANE (0.35) —
SCHEMBL8912847 0.71 NAMPT (0.63) NAMPTPDK4GRM1GRM5CDK7
SCHEMBL3034673 0.71 NAMPT (0.59) QDPRNAMPTPDK4GRM1GRM5
SCHEMBL14340513 0.71 QDPR (0.67) QDPRNAMPTBRD4SUV39H2ALOX15
SCHEMBL27018501 0.71 ELANE (0.47) BRD4

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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