SCHEMBL4577934

SCHEMBL4577934

CC(CO)C(O)(c1ccccc1)c1ccccc1

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP2C19 P33261 3/20 0.63
CYP2D6 P10635 3/20 0.63
ALDH1A1 P00352 2/20 0.63
HSD17B10 Q99714 1/20 0.63
MEN1 O00255 2/20 0.47
KMT2A Q03164 2/20 0.47
TTR P02766 1/20 0.47
KDM4E B2RXH2 3/20 0.44
LMNA P02545 1/20 0.44
MAPK1 P28482 1/20 0.44
KCNA5 P22460 1/20 0.41
TRPA1 O75762 3/20 0.41
CYP1A2 P05177 2/20 0.39
CYP2C9 P11712 1/20 0.39
MAN2A1 Q16706 1/20 0.39
MAN1B1 Q9UKM7 1/20 0.39
PABPC1 P11940 1/20 0.38
APOBEC3A P31941 1/20 0.38
APOBEC3G Q9HC16 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.37

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
SCHEMBL29457704 0.83 CYP2D6 (0.63) CYP2C19CYP2D6ALDH1A1HSD17B10MEN1
SCHEMBL11357076 0.83 CYP2C19 (0.63) CYP2C19CYP2D6ALDH1A1HSD17B10MEN1
SCHEMBL28354538 0.83 CYP2C19 (0.48) CYP2C19CYP2D6ALDH1A1HSD17B10MEN1
Hydrochloric Acid SCHEMBL10512219 0.81 CYP2C19 (0.61) CYP2C19CYP2D6ALDH1A1HSD17B10MEN1
SCHEMBL28697141 0.81 ALDH1A1 (0.47) CYP2C19CYP2D6ALDH1A1HSD17B10MEN1
SCHEMBL27956615 0.80 CYP2D6 (0.46) CYP2C19CYP2D6ALDH1A1HSD17B10MEN1
SCHEMBL6021075 0.79 ALDH1A1 (0.57) CYP2C19CYP2D6ALDH1A1HSD17B10MEN1
SCHEMBL301345 0.79 ALDH1A1 (0.57) CYP2C19CYP2D6ALDH1A1HSD17B10MEN1
SCHEMBL28312162 0.78 CYP2D6 (0.44) CYP2C19CYP2D6ALDH1A1HSD17B10KMT2A
SCHEMBL28268198 0.77 CYP2D6 (0.43) CYP2C19CYP2D6ALDH1A1HSD17B10MEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-110407964-A Catalyst component for olefin and preparation method thereof CHINA PETROLEUM & CHEM CORP 2019-11-05 CN 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
CN-1982290-A Fungicidal carboxamides UNIV ARKANSAS (US) 2007-06-20 CN disclosed
CN-1274724-C Method of producing olefine polymer and its polymer SINOPEC CORP (CN) 2006-09-13 CN 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
CN-1241958-C Propene polymers and preparation process thereof CHINA PETROLEUM & CHEMICAL (CN) 2006-02-15 CN disclosed
CN-1218234-C Free form code Chinese input method LIANG CHUANREN (CN) 2005-09-07 CN disclosed
CN-1213080-C Catalyst for olefine polymerizing reaction and its components CHINA PETROCHEMICAL CORP (CN) 2005-08-03 CN disclosed
CN-1597714-A Method of producing olefine polymer and its polymer CHINA PETROCHEMICAL CORP (CN) 2005-03-23 CN disclosed
CN-1566164-A Propene polymers and preparation process thereof SINOPEC CORP (CN) 2005-01-19 CN 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
CN-1453298-A Catalyst for olefine polymerizing reaction and its components CHINA PETROCHEMICAL CORP (CN) 2003-11-05 CN 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
US-3940446-A Dehydrogenation of alcohols UNIVERSAL OIL PRODUCTS COMPANY (US) 1976-02-24 US disclosed