SCHEMBL4577922

SCHEMBL4577922

CC(CC(C)(C)COC(=O)c1ccccc1)OC(=O)c1ccccc1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 1/20 0.54
HIF1A Q16665 1/20 0.54
TDP1 Q9NUW8 3/20 0.49
CYP2D6 P10635 2/20 0.49
SCN1A P35498 2/20 0.49
SCN2A Q99250 2/20 0.49
SCN3A Q9NY46 2/20 0.49
SLC6A3 Q01959 2/20 0.49
HTR1A P08908 1/20 0.49
SCN5A Q14524 1/20 0.49
KMT2A Q03164 3/20 0.46
LMNA P02545 2/20 0.46
ALDH1A1 P00352 2/20 0.46
CYP1A2 P05177 1/20 0.46
POLB P06746 1/20 0.46
ADRB2 P07550 2/20 0.46
ADRB1 P08588 2/20 0.46
ADRB3 P13945 2/20 0.46
NPC1 O15118 1/20 0.45
TSHR P16473 2/20 0.44

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
Benzoic Acid SCHEMBL21874906 0.82 MAPK1 (0.54) MAPK1HIF1ATDP1CYP2D6SCN1A
SCHEMBL26360277 0.82 MAPK1 (0.54) MAPK1HIF1ATDP1CYP2D6SCN1A
SCHEMBL204567 0.82 MAPK1 (0.71) MAPK1HIF1ATDP1CYP2D6SCN1A
SCHEMBL27456899 0.81 LMNA (0.50) MAPK1HIF1ATDP1CYP2D6SCN1A
SCHEMBL25970817 0.80 MAPK1 (0.59) MAPK1HIF1ATDP1CYP2D6SCN1A
SCHEMBL8885390 0.80 MAPK1 (0.62) MAPK1HIF1ATDP1CYP2D6SCN1A
SCHEMBL11422594 0.79 LMNA (0.48) MAPK1HIF1ATDP1CYP2D6SCN1A
SCHEMBL4577204 0.79 CYP1A2 (0.49) MAPK1HIF1ATDP1CYP2D6SCN1A
SCHEMBL226248 0.78 MAPK1 (0.65) MAPK1HIF1ATDP1CYP2D6SCN1A
Ethylene Glycol SCHEMBL204566 0.78 MAPK1 (0.65) MAPK1HIF1ATDP1CYP2D6SCN1A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1478617-A4 POLYOL ESTER COMPOUNDS USEFUL IN PREPARATION OF A CATALYST FOR OLEFINS POLYMERIZATION, PROCESS FOR PREPARING THE SAME AND USE THEREOF CHINA PETROLEUM & CHEMICAL (CN) 2006-04-19 EP claimed
EP-1478617-A1 POLYOL ESTER COMPOUNDS USEFUL IN PREPARATION OF A CATALYST FOR OLEFINS POLYMERIZATION, PROCESS FOR PREPARING THE SAME AND USE THEREOF China Petroleum & Chemical Corporation (CN) 2004-11-24 EP claimed
WO-2003068723-A1 POLYOL ESTER COMPOUNDS USEFUL IN PREPARATION OF A CATALYST FOR OLEFINS POLYMERIZATION, PROCESS FOR PREPARING THE SAME AND USE THEREOF CHINA PETROLEUM & CHEMICAL CORPORATION (CN) 2003-08-21 WO claimed
EP-1472293-A4 SOLID CATALYST COMPONENT FOR POLYMERIZATION OF OLEFINS, CATALYST COMPRISING THE SAME AND USE THEREOF CHINA PETROLEUM & CHEMICAL (CN) 2008-01-16 EP disclosed
EP-1478617-A4 POLYOL ESTER COMPOUNDS USEFUL IN PREPARATION OF A CATALYST FOR OLEFINS POLYMERIZATION, PROCESS FOR PREPARING THE SAME AND USE THEREOF CHINA PETROLEUM & CHEMICAL (CN) 2006-04-19 EP disclosed
EP-1478617-A1 POLYOL ESTER COMPOUNDS USEFUL IN PREPARATION OF A CATALYST FOR OLEFINS POLYMERIZATION, PROCESS FOR PREPARING THE SAME AND USE THEREOF China Petroleum & Chemical Corporation (CN) 2004-11-24 EP disclosed
EP-1472293-A1 SOLID CATALYST COMPONENT FOR POLYMERIZATION OF OLEFINS, CATALYST COMPRISING THE SAME AND USE THEREOF China Petroleum & Chemical Corporation (CN) 2004-11-03 EP disclosed
WO-2003068828-A1 SOLID CATALYST COMPONENT FOR POLYMERIZATION OF OLEFINS, CATALYST COMPRISING THE SAME AND USE THEREOF CHINA PETROLEUM & CHEMICAL CORPORATION (CN) 2003-08-21 WO disclosed
WO-2003068723-A1 POLYOL ESTER COMPOUNDS USEFUL IN PREPARATION OF A CATALYST FOR OLEFINS POLYMERIZATION, PROCESS FOR PREPARING THE SAME AND USE THEREOF CHINA PETROLEUM & CHEMICAL CORPORATION (CN) 2003-08-21 WO disclosed