SCHEMBL1758876

SCHEMBL1758876

COc1ccccc1-c1cccc(C(CO)c2ccccc2)c1OCc1ccccc1

nearest known ligand 0.46

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
BCHE P06276 11/20 0.46
KDM4E B2RXH2 2/20 0.45
L3MBTL1 Q9Y468 1/20 0.45
MGAM O43451 1/20 0.43
GAA P10253 1/20 0.43
SI P14410 1/20 0.43
MGAM2 Q2M2H8 1/20 0.43
PTGER1 P34995 1/20 0.43
MEN1 O00255 1/20 0.42
KMT2A Q03164 1/20 0.42
MRGPRX4 Q96LA9 1/20 0.41
RXRA P19793 1/20 0.41
MAPT P10636 1/20 0.41
HTR1A P08908 1/20 0.41
ADRA1D P25100 1/20 0.41
ADRA1A P35348 1/20 0.41
ADRA1B P35368 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
SCHEMBL1759131 0.85 MGAM (0.47) BCHEKDM4EL3MBTL1MGAMGAA
SCHEMBL1758874 0.82 BCHE (0.45) BCHEKDM4EL3MBTL1MGAMGAA
SCHEMBL1758872 0.80 BCHE (0.46) BCHEKDM4EL3MBTL1MGAMGAA
SCHEMBL1638059 0.78 MGAM (0.47) BCHEKDM4EL3MBTL1MGAMGAA
SCHEMBL1638577 0.77 HTR7 (0.45) BCHEMGAMGAASIMGAM2
SCHEMBL5667382 0.77 IDO1 (0.51) L3MBTL1MEN1KMT2A
SCHEMBL1638070 0.75 BCHE (0.50) BCHEKDM4EL3MBTL1GAAMEN1
SCHEMBL1639591 0.73 HTR1A (0.58) KDM4EL3MBTL1PTGER1MRGPRX4RXRA
SCHEMBL1759130 0.73 L3MBTL1 (0.47) BCHEKDM4EL3MBTL1MGAMGAA
SCHEMBL12725985 0.73 BCHE (0.57) BCHEKDM4EL3MBTL1MGAMGAA

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-2493933-A2 CATALYST COMPOUNDS AND USE THEREOF ExxonMobil Chemical Patents Inc. (US) 2012-09-05 EP disclosed
WO-2011056424-A2 CATALYST COMPOUNDS AND USE THEREOF EXXONMOBIL CHEMICAL PATENTS INC. (US) 2011-05-12 WO disclosed