SCHEMBL13713840

SCHEMBL13713840

COc1cc2oc(=O)cc(CC(NC(=O)C(C)C(C)C)C(=O)O)c2cc1OC

nearest known ligand 0.48

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ MEN1 O00255 1/20 0.47
▸ KMT2A Q03164 1/20 0.47
▸ KDM4E B2RXH2 3/20 0.44
▸ ALDH1A1 P00352 3/20 0.44
▸ HSD17B10 Q99714 2/20 0.44
▸ GAA P10253 7/20 0.44
▸ POLB P06746 5/20 0.43
▸ CTDSP1 Q9GZU7 1/20 0.41
▸ HPGD P15428 2/20 0.40
▸ MAPK1 P28482 1/20 0.40
▸ HTT P42858 1/20 0.39

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
SCHEMBL13741165 0.90 MEN1 (0.45) MEN1KMT2AKDM4EALDH1A1HSD17B10
SCHEMBL13713834 0.85 MEN1 (0.50) MEN1KMT2AKDM4EALDH1A1HSD17B10
SCHEMBL14473923 0.78 KDM4E (0.49) MEN1KMT2AKDM4EALDH1A1HSD17B10
SCHEMBL20281019 0.75 KDM4E (0.46) MEN1KMT2AKDM4EALDH1A1HSD17B10
Trifluoroacetic Acid SCHEMBL5622863 0.73 KDM4E (0.44) KDM4EALDH1A1HSD17B10HPGDMAPK1
Trifluoroacetic Acid SCHEMBL5622861 0.73 KDM4E (0.44) KDM4EALDH1A1HSD17B10HPGDMAPK1
SCHEMBL869935 0.72 KDM4E (0.67) KDM4EALDH1A1HSD17B10GAAHPGD
SCHEMBL15539797 0.72 CTSS (0.43) MEN1KMT2AKDM4EALDH1A1HPGD
SCHEMBL12920147 0.72 ALDH1A1 (0.49) MEN1KMT2AKDM4EALDH1A1HSD17B10
SCHEMBL5429225 0.71 KDM4E (0.67) KDM4EALDH1A1HSD17B10GAAHPGD

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
US-7579324-B2 Conjugates of biologically active compounds, methods for their preparation and use, formulation and pharmaceutical applications thereof C-A-I-R BIOSCIENCES GMBH (DE) 2009-08-25 — — US disclosed
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