SCHEMBL21090435

SCHEMBL21090435

C=C(C)C(C)(C)C(=O)COCCOCCNC(C)(C)C(=O)CC

nearest known ligand 0.32

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.32
CES2 O00748 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
SCHEMBL21090352 0.80 MEN1 (0.35) KDM4ECES2
SCHEMBL21089817 0.78 MEN1 (0.33) KDM4ECES2
SCHEMBL13202545 0.73 CES2 (0.36) KDM4ECES2
SCHEMBL20917126 0.72 THRB (0.38) CES2
SCHEMBL22104550 0.72 MEN1 (0.31) KDM4E
SCHEMBL20917016 0.70 TDP1 (0.38)
SCHEMBL20133152 0.68 KDM4E (0.43) KDM4ECES2
SCHEMBL4402902 0.68 KDM4E (0.43) KDM4ECES2
SCHEMBL20128726 0.68 KDM4E (0.43) KDM4ECES2
SCHEMBL27408407 0.68 KDM4E (0.43) KDM4ECES2

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
EP-3226906-B1 GLP-1 DERIVATIVES AND USES THEREOF NOVO NORDISK AS (DK) 2019-06-12 EP disclosed