SCHEMBL17469079

SCHEMBL17469079

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

nearest known ligand 0.39

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 2/20 0.39
KDM4E B2RXH2 2/20 0.39
HIF1A Q16665 1/20 0.39
TSHR P16473 2/20 0.36
ADRA1A P35348 1/20 0.36
ALDH1A1 P00352 3/20 0.35
CBLB Q13191 1/20 0.34
PAOX Q6QHF9 3/20 0.33
MTNR1A P48039 1/20 0.32
MTNR1B P49286 1/20 0.32
ZDHHC20 Q5W0Z9 1/20 0.31
ZDHHC2 Q9UIJ5 1/20 0.31
TDP1 Q9NUW8 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
SCHEMBL18616120 0.75 KDM4E (0.43) MAPK1KDM4EHIF1ATSHRADRA1A
SCHEMBL12310434 0.71
SCHEMBL17469080 0.70 KDM4E (0.43) MAPK1KDM4EHIF1ATSHRADRA1A
SCHEMBL10086054 0.70
SCHEMBL21419978 0.70 KDM4E (0.46) MAPK1KDM4EHIF1ATSHRADRA1A
SCHEMBL20887486 0.69 KDM4E (0.52) MAPK1KDM4EHIF1ATSHRADRA1A
SCHEMBL2612178 0.67 ZDHHC20 (0.55) MAPK1KDM4EHIF1ATSHRADRA1A
SCHEMBL21845015 0.67 KDM4E (0.48) MAPK1KDM4EHIF1ATSHRADRA1A
SCHEMBL27346705 0.67
SCHEMBL24220049 0.67 KDM4E (0.43) MAPK1KDM4EHIF1ATSHRADRA1A

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