SCHEMBL1897191

SCHEMBL1897191

COc1c(C=Cc2cccc(-c3ccccc3)c2OCc2ccccc2)cccc1-c1ccccc1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MGAM O43451 3/20 0.45
GAA P10253 3/20 0.45
SI P14410 3/20 0.45
MGAM2 Q2M2H8 3/20 0.45
PTGER4 P35408 5/20 0.43
PTGER3 P43115 5/20 0.43
PTGER2 P43116 5/20 0.43
PTGER1 P34995 3/20 0.43
NFE2L2 Q16236 1/20 0.43
KDM4E B2RXH2 2/20 0.43
MAOB P27338 2/20 0.42
BCHE P06276 2/20 0.41
ERN1 O75460 2/20 0.40
CCNB2 O95067 1/20 0.39
CDK1 P06493 1/20 0.39
CDK4 P11802 1/20 0.39
CCNB1 P14635 1/20 0.39
CCND1 P24385 1/20 0.39
CCNB3 Q8WWL7 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39

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
SCHEMBL1759270 0.91 KDM4E (0.48) MGAMGAASIMGAM2PTGER4
SCHEMBL1897819 0.89 MGAM (0.40) MGAMGAASIMGAM2PTGER4
SCHEMBL8406054 0.87 LCK (0.48) PTGER4PTGER3PTGER2PTGER1NFE2L2
SCHEMBL8406052 0.87 LCK (0.48) PTGER4PTGER3PTGER2PTGER1NFE2L2
SCHEMBL1759239 0.83 NFE2L2 (0.49) MGAMGAASIMGAM2PTGER4
SCHEMBL1759276 0.82 NPC1 (0.42) GAAPTGER4PTGER3PTGER2PTGER1
SCHEMBL1638769 0.81 PTGER1 (0.46) PTGER4PTGER3PTGER2PTGER1MAOB
SCHEMBL1759117 0.79 NFE2L2 (0.51) MGAMGAASIMGAM2PTGER4
SCHEMBL12725985 0.79 BCHE (0.57) MGAMGAASIMGAM2KDM4E
SCHEMBL1638868 0.79 NFE2L2 (0.59) PTGER4PTGER3PTGER2NFE2L2KDM4E

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-2493934-A2 CATALYST COMPOUNDS AND USE THEREOF ExxonMobil Chemical Patents Inc. (US) 2012-09-05 EP disclosed
WO-2011056428-A2 CATALYST COMPOUNDS AND USE THEREOF EXXONMOBIL CHEMICAL PATENTS INC. (US) 2011-05-12 WO disclosed