SCHEMBL4696889

SCHEMBL4696889

CCc1ccc(I)c(OC(C)C)c1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CSNK2A1 P68400 2/20 0.41
TRPA1 O75762 1/20 0.35
RXRA P19793 1/20 0.35
RXRB P28702 1/20 0.35
RXRG P48443 1/20 0.35
PTGS2 P35354 1/20 0.34
CYP1A2 P05177 1/20 0.34
CYP2A6 P11509 1/20 0.34
MAPK1 P28482 2/20 0.34
L3MBTL1 Q9Y468 2/20 0.34
LMNA P02545 2/20 0.34
NPC1 O15118 1/20 0.34
ALDH1A1 P00352 1/20 0.34
MAPT P10636 1/20 0.34
RAB9A P51151 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
TSHR P16473 1/20 0.33
ATM Q13315 1/20 0.33
TDP1 Q9NUW8 1/20 0.33
MEN1 O00255 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
SCHEMBL16606256 0.82 CSNK2A1 (0.49) CSNK2A1TRPA1PTGS2CYP1A2CYP2A6
SCHEMBL17805387 0.79 PKM (0.43) CSNK2A1TRPA1PTGS2CYP1A2CYP2A6
SCHEMBL19578912 0.79 PTGS2 (0.52) TRPA1PTGS2CYP1A2MAPK1LMNA
SCHEMBL14190879 0.78 CA2 (0.52) CSNK2A1PTGS2CYP1A2MAPK1LMNA
SCHEMBL14948760 0.78 CSNK2A1 (0.53) CSNK2A1TRPA1RXRAPTGS2CYP1A2
SCHEMBL14468495 0.78 CSNK2A1 (0.41) CSNK2A1TRPA1PTGS2CYP1A2CYP2A6
SCHEMBL8372213 0.78 CA2 (0.52) CSNK2A1PTGS2CYP1A2LMNAALDH1A1
SCHEMBL8180613 0.78 CSNK2A1 (0.41) CSNK2A1KCNH2TMEM97SIGMAR1
SCHEMBL12327573 0.78 TRPA1 (0.53) TRPA1MAPK1LMNATSHRALOX15
SCHEMBL28805392 0.76 CSNK2A1 (0.45) CSNK2A1TRPA1PTGS2CYP1A2CYP2A6

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1463501-B1 CIS-IMIDAZOLINES AS MDM2 INHIBITORS HOFFMANN LA ROCHE (CH) 2008-06-11 EP disclosed
CN-1604778-A Cis-imidazolines as MDM2 inhibitors HOFFMANN LA ROCHE (CH) 2005-04-06 CN disclosed
EP-1463501-A1 CIS-IMIDAZOLINES AS MDM2 INHIBITORS F. Hoffmann-La Roche AG (CH) 2004-10-06 EP disclosed
US-6617346-B1 Inhibit the interaction of MDM2 protein with a p53-like peptide and have antiproliferative activity HOFFMANN-LA ROCHE INC. 2003-09-09 US disclosed
WO-2003051360-A1 CIS-IMIDAZOLINES AS MDM2 INHIBITORS F. HOFFMANN-LA ROCHE AG (CH) 2003-06-26 WO disclosed