SCHEMBL8047273

SCHEMBL8047273

C=CCCNCC=CCOc1ccc(C(=O)c2c(F)cccc2F)cc1F

nearest known ligand 0.37

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
IL2 P60568 1/20 0.35
PDE4D Q08499 2/20 0.34
KDM4E B2RXH2 2/20 0.34
ACHE P22303 1/20 0.33
MRGPRX4 Q96LA9 4/20 0.32
KAT6A Q92794 2/20 0.32
PDE4B Q07343 1/20 0.31
MET P08581 1/20 0.31
BRD4 O60885 1/20 0.31
ALDH1A1 P00352 1/20 0.31

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
SCHEMBL8035846 0.87 LSS (0.43) KDM4EACHEALDH1A1
SCHEMBL8035588 0.83 EZH2 (0.35) ACHE
SCHEMBL7769001 0.80 THRA (0.39) PDE4DKDM4EPDE4B
SCHEMBL7764172 0.79 KDM4E (0.33) KDM4EALDH1A1
SCHEMBL7772085 0.79 KDM4E (0.34) KDM4EBRD4ALDH1A1
SCHEMBL8044773 0.79 ACHE (0.36) PDE4DACHEMRGPRX4
SCHEMBL8903738 0.79 ACHE (0.36) PDE4DACHEMRGPRX4
SCHEMBL7772100 0.79 KDM4E (0.33) KDM4EPDE4BBRD4
SCHEMBL8047705 0.78 PPARD (0.38) KDM4EALDH1A1
SCHEMBL3676960 0.78 LSS (0.52) ACHEALDH1A1

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
EP-0636367-B1 Use of phenylalkylamines for producing cholesterol lowering agents HOFFMANN LA ROCHE (CH) 2000-03-29 EP claimed