SCHEMBL17469080

SCHEMBL17469080

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

nearest known ligand 0.43

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.43
MAPK1 P28482 1/20 0.43
HIF1A Q16665 1/20 0.43
ADRA1A P35348 1/20 0.40
PAOX Q6QHF9 3/20 0.37
TSHR P16473 1/20 0.36
ALDH1A1 P00352 1/20 0.35
CBLB Q13191 1/20 0.31
NAMPT P43490 1/20 0.30
FOLH1 Q04609 1/20 0.30
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
SCHEMBL17469081 0.78 KDM4E (0.39) KDM4EMAPK1HIF1AADRA1APAOX
SCHEMBL887478 0.74 KDM4E (0.46) KDM4EMAPK1HIF1AADRA1APAOX
SCHEMBL12310434 0.71
SCHEMBL17469079 0.70 MAPK1 (0.39) KDM4EMAPK1HIF1AADRA1APAOX
SCHEMBL24458682 0.68 KDM4E (0.44) KDM4EMAPK1HIF1AADRA1APAOX
SCHEMBL27346705 0.67
SCHEMBL21845015 0.67 KDM4E (0.48) KDM4EMAPK1HIF1AADRA1APAOX
SCHEMBL18616120 0.67 KDM4E (0.43) KDM4EMAPK1HIF1AADRA1APAOX
SCHEMBL21419978 0.66 KDM4E (0.46) KDM4EMAPK1HIF1AADRA1APAOX
SCHEMBL21064450 0.66 KDM4E (0.46) KDM4EMAPK1HIF1AADRA1APAOX

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