SCHEMBL17469081

SCHEMBL17469081

C=C(/C=C(\C)C=O)CCNC(C)=O

nearest known ligand 0.39

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.39
MAPK1 P28482 1/20 0.39
HIF1A Q16665 1/20 0.39
TSHR P16473 1/20 0.36
PAOX Q6QHF9 3/20 0.36
ADRA1A P35348 1/20 0.36
ALDH1A1 P00352 1/20 0.35
OR51E2 Q9H255 1/20 0.31
CBLB Q13191 1/20 0.31
F13A1 P00488 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
SCHEMBL17469080 0.78 KDM4E (0.43) KDM4EMAPK1HIF1ATSHRPAOX
SCHEMBL12310434 0.71
SCHEMBL21845015 0.67 KDM4E (0.48) KDM4EMAPK1HIF1ATSHRPAOX
SCHEMBL17469079 0.67 MAPK1 (0.39) KDM4EMAPK1HIF1ATSHRPAOX
SCHEMBL887478 0.66 KDM4E (0.46) KDM4EMAPK1HIF1ATSHRPAOX
SCHEMBL21064450 0.66 KDM4E (0.46) KDM4EMAPK1HIF1ATSHRPAOX
SCHEMBL21419978 0.66 KDM4E (0.46) KDM4EMAPK1HIF1ATSHRPAOX
SCHEMBL4939278 0.66 ADRA1A (0.47) KDM4EMAPK1HIF1ATSHRPAOX
SCHEMBL10078297 0.66 KDM4E (0.38) KDM4EMAPK1HIF1ATSHRPAOX
SCHEMBL20887486 0.65 KDM4E (0.52) KDM4EMAPK1HIF1ATSHRPAOX

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-2016014463-A1 HETEROCYCLIC CARBOXYLIC ACIDS AS ACTIVATORS OF SOLUBLE GUANYLATE CYCLASE BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2016-01-28 WO disclosed