SCHEMBL1758872

SCHEMBL1758872

COc1ccccc1-c1cccc(-c2ccccc2C(C)O)c1OCc1ccccc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BCHE P06276 8/20 0.46
HTR1A P08908 3/20 0.45
ADRA1D P25100 3/20 0.45
ADRA1A P35348 3/20 0.45
ADRA1B P35368 3/20 0.45
KDM4E B2RXH2 2/20 0.44
L3MBTL1 Q9Y468 1/20 0.44
MRGPRX4 Q96LA9 1/20 0.43
RXRA P19793 1/20 0.43
MAPT P10636 1/20 0.42
ATM Q13315 1/20 0.42
MGAM O43451 1/20 0.42
GAA P10253 1/20 0.42
SI P14410 1/20 0.42
MGAM2 Q2M2H8 1/20 0.42
PTGER1 P34995 1/20 0.41
NPC1 O15118 1/20 0.41
HPGD P15428 1/20 0.41
RAB9A P51151 1/20 0.41
SMN1; SMN2 Q16637 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
SCHEMBL1758874 0.85 BCHE (0.45) BCHEHTR1AADRA1DADRA1AADRA1B
SCHEMBL5667375 0.82 APP (0.46) KDM4EL3MBTL1MAPTHPGDRAB9A
SCHEMBL1758876 0.80 BCHE (0.46) BCHEHTR1AADRA1DADRA1AADRA1B
SCHEMBL12773272 0.78 BCHE (0.46) BCHEHTR1AADRA1DADRA1AADRA1B
SCHEMBL1638059 0.77 MGAM (0.47) BCHEHTR1AADRA1DADRA1AADRA1B
SCHEMBL1637949 0.77 MAPK1 (0.46) L3MBTL1RXRAMAPTMGAMGAA
SCHEMBL1638070 0.77 BCHE (0.50) BCHEHTR1AADRA1DADRA1AADRA1B
SCHEMBL1759387 0.76 FFAR1 (0.47) BCHEKDM4EL3MBTL1MGAMGAA
SCHEMBL3458384 0.76 TDP1 (0.55) HTR1AADRA1DADRA1AADRA1BKDM4E
SCHEMBL1639591 0.75 HTR1A (0.58) HTR1AADRA1DADRA1AADRA1BKDM4E

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