SCHEMBL11535406

SCHEMBL11535406

CC(=O)NCCCC(CF)NC(C)=O

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.48
MAPK1 P28482 1/20 0.48
HIF1A Q16665 1/20 0.48
PAOX Q6QHF9 3/20 0.41
ADRA1A P35348 1/20 0.40
FOLH1 Q04609 1/20 0.40
PLA2G2C Q5R387 1/20 0.38
TSHR P16473 1/20 0.36
MTNR1A P48039 1/20 0.36
MTNR1B P49286 1/20 0.36
ALDH1A1 P00352 2/20 0.35
SIRT6 Q8N6T7 1/20 0.35
SIRT1 Q96EB6 1/20 0.35
SIRT5 Q9NXA8 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.34
PLA2G2A P14555 1/20 0.34
GLA P06280 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
ZDHHC7 Q9NXF8 1/20 0.33
KISS1R Q969F8 1/20 0.33

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
SCHEMBL11532872 0.79 PLA2G2C (0.39) PAOXPLA2G2CSIRT6SIRT1PLA2G2A
SCHEMBL13567005 0.78 KDM4E (0.54) KDM4EMAPK1HIF1APAOXADRA1A
SCHEMBL13057117 0.78 KDM4E (0.54) KDM4EMAPK1HIF1APAOXADRA1A
SCHEMBL12677487 0.76 KDM4E (0.52) KDM4EMAPK1HIF1APAOXADRA1A
SCHEMBL19057367 0.76 KDM4E (0.42) KDM4EMAPK1HIF1APAOXADRA1A
Bromide SCHEMBL11534682 0.74 KDM4E (0.48) KDM4EMAPK1HIF1APAOXADRA1A
SCHEMBL825197 0.74 PAOX (0.49) KDM4EMAPK1HIF1APAOXADRA1A
SCHEMBL12601501 0.73 KDM4E (0.64) KDM4EMAPK1HIF1APAOXADRA1A
SCHEMBL24864551 0.73 KDM4E (0.52) KDM4EMAPK1HIF1APAOXADRA1A
SCHEMBL13133644 0.73 KDM4E (0.52) KDM4EMAPK1HIF1APAOXADRA1A

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
US-4134918-A ENZYME INHIBITORS, ANTIBODY INHIBITORS MERRELL TORAUDE ET COMPAGNIE (FR) 1979-01-16 US disclosed