SCHEMBL1759281

SCHEMBL1759281

CC(C)(C)c1cccc(C=Cc2cccc(-c3ccccn3)c2)c1OCc1ccccc1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TLR4 O00206 2/20 0.42
TLR2 O60603 2/20 0.42
FFAR1 O14842 1/20 0.39
LCK P06239 1/20 0.38
ALOX5AP P20292 1/20 0.38
KDM1A O60341 1/20 0.38
FEN1 P39748 1/20 0.37
GRM5 P41594 1/20 0.36
HRH3 Q9Y5N1 1/20 0.35
CCNB2 O95067 1/20 0.34
CDK1 P06493 1/20 0.34
CDK4 P11802 1/20 0.34
CCNB1 P14635 1/20 0.34
CCND1 P24385 1/20 0.34
CCNB3 Q8WWL7 1/20 0.34
ALDH1A1 P00352 2/20 0.34
KDM4E B2RXH2 1/20 0.34
PKM P14618 1/20 0.34
LMNA P02545 1/20 0.34
THRB P10828 1/20 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
SCHEMBL1758969 0.81 NFE2L2 (0.44) FFAR1KDM4EPDCD1CD274CYP1A1
SCHEMBL1759014 0.77 NFE2L2 (0.46) FFAR1ALDH1A1KDM4EPDCD1CD274
SCHEMBL1636931 0.76 FFAR1 (0.42) FFAR1ALOX5APFEN1GRM5HRH3
SCHEMBL1638990 0.76 FFAR1 (0.47) FFAR1HRH3CCNB2CDK1CCNB1
SCHEMBL1636933 0.76 FFAR1 (0.42) FFAR1ALOX5APFEN1GRM5HRH3
SCHEMBL1758846 0.76 KDM1A (0.45) LCKKDM1AGRM5CCNB2CDK1
SCHEMBL1897819 0.75 MGAM (0.40) FEN1KDM4EPDCD1CD274MAOB
SCHEMBL1636835 0.75 FFAR1 (0.41) FFAR1ALOX5APFEN1GRM5HRH3
SCHEMBL1638152 0.71 RXRA (0.45) FEN1CCNB2CDK1CDK4CCNB1
SCHEMBL1638838 0.70 MAOA (0.51) FEN1CCNB2CDK1CDK4CCNB1

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
EP-2493932-A2 CATALYST COMPOUNDS AND USE THEREOF ExxonMobil Chemical Patents Inc. (US) 2012-09-05 EP disclosed
WO-2011056423-A2 CATALYST COMPOUNDS AND USE THEREOF EXXONMOBIL CHEMICAL PATENTS INC. (US) 2011-05-12 WO disclosed