SCHEMBL1907159

SCHEMBL1907159

CC(=O)OCC(=O)c1ccccc1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 4/20 0.61
RAB9A P51151 4/20 0.61
ALDH1A1 P00352 4/20 0.61
HPGD P15428 3/20 0.56
L3MBTL1 Q9Y468 2/20 0.56
LMNA P02545 3/20 0.53
ESR1 P03372 1/20 0.53
ESR2 Q92731 1/20 0.53
TSHR P16473 1/20 0.53
KMT2A Q03164 5/20 0.52
MEN1 O00255 3/20 0.52
SMN1; SMN2 Q16637 3/20 0.52
MAPT P10636 2/20 0.52
KDM4E B2RXH2 2/20 0.52
CYP3A4 P08684 1/20 0.52
ALOX15 P16050 1/20 0.52
CES1 P23141 1/20 0.52
MAPK1 P28482 1/20 0.52
TDP1 Q9NUW8 1/20 0.52
CYP1A2 P05177 1/20 0.51

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
Methane SCHEMBL11751846 0.98 NPC1 (0.59) NPC1RAB9AALDH1A1HPGDL3MBTL1
SCHEMBL11758104 0.89 MAPT (0.62) NPC1RAB9AALDH1A1HPGDL3MBTL1
SCHEMBL3039637 0.86 ALDH1A1 (0.64) NPC1RAB9AALDH1A1HPGDESR1
SCHEMBL10583830 0.86 ALDH1A1 (0.64) NPC1RAB9AALDH1A1HPGDLMNA
SCHEMBL10581415 0.86 LMNA (0.61) NPC1RAB9AALDH1A1HPGDL3MBTL1
SCHEMBL14564371 0.84 ERCC5 (0.55) NPC1RAB9AALDH1A1HPGDL3MBTL1
SCHEMBL10583762 0.84 HPGD (0.59) NPC1RAB9AALDH1A1HPGDL3MBTL1
SCHEMBL7496934 0.83 ALDH1A1 (0.53) NPC1RAB9AALDH1A1HPGDLMNA
Ethylene SCHEMBL10880928 0.83 ALDH1A1 (0.52) NPC1RAB9AALDH1A1HPGDL3MBTL1
SCHEMBL10809629 0.83 L3MBTL1 (0.59) NPC1RAB9AALDH1A1HPGDL3MBTL1

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 283 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-112694402-A Synthesis method of p-acetoxystyrene 上海博栋化学科技有限公司 2021-04-23 CN claimed
CN-110078722-A A kind of thioxanthene ketone class STAT3 inhibitor maleate crystal form A and its application 南京先进生物材料与过程装备研究院有限公司 2019-08-02 CN claimed
CN-109846888-A A kind of taxol and indoles STAT3 inhibitor drug combination compositions 南京先进生物材料与过程装备研究院有限公司 2019-06-07 CN claimed
CN-109485643-A A kind of Fluorenone class STAT3 inhibitor and preparation method and application 南京先进生物材料与过程装备研究院有限公司 2019-03-19 CN claimed
CN-109369627-A Fluorenone class STAT3 inhibitor crystal form A and preparation method 南京先进生物材料与过程装备研究院有限公司 2019-02-22 CN claimed
CN-109336868-A Indoles STAT3 inhibitor and preparation method thereof 南京先进生物材料与过程装备研究院有限公司 2019-02-15 CN claimed
CN-109336878-A A kind of thioxanthene ketone class STAT3 inhibitor and its application 南京先进生物材料与过程装备研究院有限公司 2019-02-15 CN claimed
CN-109293641-A A kind of fluorenes class STAT3 inhibitor and preparation method thereof 南京先进生物材料与过程装备研究院有限公司 2019-02-01 CN claimed
CN-109223758-A A kind of taxol and fluorenes class STAT3 inhibitor drug combination compositions 南京先进生物材料与过程装备研究院有限公司 2019-01-18 CN claimed
CN-109200052-A A kind of taxol and Fluorenone class STAT3 inhibitor drug combination compositions 南京先进生物材料与过程装备研究院有限公司 2019-01-15 CN claimed
CN-103360249-B To acetoxyl methyl phenyl carbinol and the preparation method to acetoxystyrene SINOPEC CORP. (CN) 2015-12-02 CN claimed
CN-102452935-B Preparation method of p-acetoxyacetophenone, and hydrogenation and dehydration products thereof CHINA PETROLEUM & CHEMICAL 2014-03-05 CN claimed
CN-103360249-A Preparation methods of acetate alpha-phenethyl alcohol and acetate styrene CHINA PETROLEUM & CHEMICAL 2013-10-23 CN claimed
CN-102795999-A Preparation method of p-acetoxystyrene and preparation method of its intermediate HENAN NEWLAND PHARM CO LTD 2012-11-28 CN claimed
CN-102452935-A Preparation method of p-acetophenone acetate and hydrogenation and dehydration products thereof CHINA PETROLEUM & CHEMICAL 2012-05-16 CN claimed
CN-102093216-A Method for preparing p-acetoxyacetophenone and o-acetoxyacetophenone RIQING CAO 2011-06-15 CN claimed
EP-0365340-A2 Copolymers of 4-hydroxystyrene and alkyl substituted-4-hydroxystyrene HOECHST CELANESE CORPORATION (US) 1990-04-25 EP claimed
EP-0356070-A1 Synthesis of 4-acetoxystyrene oxide and related compounds HOECHST CELANESE CORPORATION (US) 1990-02-28 EP claimed
US-4469883-A Palladium catalyzed oxy-acetylation of phenyl acetate to meta-acetoxyacetophenone SUN TECH, INC. (US) 1984-09-04 US claimed
US-4054719-A ACRYLIC ESTER, TERTIARY AMINE AMERICAN CYANAMID COMPANY (US) 1977-10-18 US claimed