SCHEMBL4680835

SCHEMBL4680835

O=C(O)c1ccc(CCOc2ccc(-c3c[nH]c(COc4ccccc4)n3)cc2)cc1

nearest known ligand 0.48

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
PKM P14618 1/20 0.48
NR4A2 P43354 2/20 0.46
NR4A1 P22736 1/20 0.46
NR4A3 Q92570 1/20 0.46
CYP4F2 P78329 1/20 0.45
CYP4A11 Q02928 1/20 0.45
BCL2 P10415 1/20 0.45
FFAR1 O14842 3/20 0.44
CYSLTR1 Q9Y271 2/20 0.44
SRD5A2 P31213 1/20 0.43
PLA2G4B P0C869 2/20 0.43
MCL1 Q07820 2/20 0.42
GPBAR1 Q8TDU6 1/20 0.41
PPARG P37231 1/20 0.41
MAP4K4 O95819 1/20 0.41

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
SCHEMBL4681552 0.90 NR4A2 (0.49) PKMNR4A2NR4A1NR4A3SRD5A2
SCHEMBL4684167 0.88 MCL1 (0.50) PKMNR4A2NR4A1NR4A3SRD5A2
SCHEMBL4685016 0.82 GAA (0.47) SRD5A2MCL1PPARGMAP4K4
SCHEMBL4681866 0.81 NR4A2 (0.50) PKMNR4A2NR4A1NR4A3FFAR1
SCHEMBL4680831 0.81 RXRA (0.44) PKMNR4A2NR4A1NR4A3FFAR1
SCHEMBL4460197 0.78 CYP2D6 (0.52)
SCHEMBL4468971 0.78 XDH (0.43) PKMMCL1
SCHEMBL5750527 0.78 LMNA (0.44) MCL1
SCHEMBL4686964 0.78 MCL1 (0.46) MCL1
SCHEMBL4466562 0.77 RAB9A (0.45) MCL1

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-1638943-B1 NOVEL IMIDAZOLE DERIVATIVES, THE PRODUCTION THEREOF, AND THE USE OF THE SAME AS A MEDICAMENT SOD CONSEILS RECH APPLIC (FR) 2008-08-06 EP claimed