SCHEMBL9841124

SCHEMBL9841124

CC(=O)NCCCC=C(C)C(=O)O

nearest known ligand 0.52

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.52
MAPK1 P28482 1/20 0.52
HIF1A Q16665 1/20 0.52
ADRA1A P35348 1/20 0.47
PAOX Q6QHF9 3/20 0.44
L3MBTL1 Q9Y468 1/20 0.40
TSHR P16473 1/20 0.39
ALDH1A1 P00352 1/20 0.38
CBLB Q13191 1/20 0.35
CD81 P60033 1/20 0.35
FOLH1 Q04609 1/20 0.35
EP300 Q09472 1/20 0.34
MTNR1A P48039 2/20 0.34
MTNR1B P49286 2/20 0.34

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
SCHEMBL9841122 1.00 KDM4E (0.52) KDM4EMAPK1HIF1AADRA1APAOX
SCHEMBL5025472 0.88 KDM4E (0.44) KDM4EMAPK1HIF1AADRA1APAOX
SCHEMBL12060268 0.86 KDM4E (0.54) KDM4EMAPK1HIF1AADRA1APAOX
SCHEMBL2189441 0.85 KDM4E (0.34) KDM4EMAPK1HIF1AADRA1APAOX
SCHEMBL2110802 0.83 MEN1 (0.36) KDM4EMAPK1HIF1AADRA1AALDH1A1
SCHEMBL4497690 0.82 CD81 (0.39) CD81EP300
SCHEMBL637283 0.82 CD81 (0.36) KDM4EALDH1A1CD81EP300
SCHEMBL637285 0.82 CD81 (0.36) KDM4EALDH1A1CD81EP300
SCHEMBL11211538 0.80 EP300 (0.43) KDM4ECD81EP300
SCHEMBL1317424 0.80 EP300 (0.48) CD81EP300

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
JP-3204846-A None JP disclosed
JP-H03204846-A CARBOXAMIDO (METH) ACRYLIC ACID ESTER BAYER AG 1991-09-06 JP disclosed