SCHEMBL1968508

SCHEMBL1968508

CC(=O)Oc1ccc(C(C)C(=O)O)cc1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 4/20 0.53
PTGS2 P35354 9/20 0.53
MAPT P10636 2/20 0.53
ALDH1A1 P00352 1/20 0.53
HSP90AA1 P07900 1/20 0.53
GAA P10253 1/20 0.53
PTGS1 P23219 6/20 0.53
AKR1C3 P42330 6/20 0.53
AKR1C2 P52895 5/20 0.53
TSHR P16473 3/20 0.53
SLC22A6 Q4U2R8 2/20 0.53
CDC42 P60953 1/20 0.53
RAC1 P63000 1/20 0.53
CYP1A2 P05177 1/20 0.53
ELANE P08246 2/20 0.52
CYP2C9 P11712 3/20 0.50
CXCR1 P25024 2/20 0.50
CXCR2 P25025 2/20 0.50
ESR1 P03372 2/20 0.50
ALB P02768 1/20 0.50

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
SCHEMBL11478631 0.84 AKR1C3 (0.71) LMNAPTGS2MAPTPTGS1AKR1C3
Hydrogen Peroxide SCHEMBL9578945 0.84 LMNA (0.57) LMNAMAPTALDH1A1HSP90AA1GAA
SCHEMBL28846051 0.83 PTGS2 (0.56) LMNAPTGS2PTGS1AKR1C3AKR1C2
SCHEMBL28588225 0.83 LMNA (0.52) LMNAPTGS2MAPTALDH1A1HSP90AA1
SCHEMBL1714626 0.82 LMNA (0.59) LMNAMAPTALDH1A1HSP90AA1GAA
SCHEMBL9506851 0.82 LMNA (0.59) LMNAMAPTALDH1A1HSP90AA1GAA
SCHEMBL1968464 0.81 LMNA (0.50) LMNAPTGS2MAPTALDH1A1HSP90AA1
SCHEMBL17017218 0.81 AKR1C3 (0.57) LMNAPTGS2MAPTALDH1A1HSP90AA1
SCHEMBL59197 0.81 PTGS2 (0.74) LMNAPTGS2ALDH1A1PTGS1AKR1C3
SCHEMBL5358232 0.80 RAB9A (0.66) LMNAPTGS2ALDH1A1GAAPTGS1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-118459358-A Synthesis method and application of dihydro oat alkaloid D 国药国际医药科技(北京)有限公司 2024-08-09 CN claimed
CN-112939803-B Preparation process of dihydro oat alkaloid D 郑州轻工业大学 2023-07-18 CN claimed
CN-112939803-A Preparation process of dihydrooat alkaloid D 郑州轻工业大学 2021-06-11 CN claimed
EP-0590557-B1 Process for preparing acetoxystyrene BASF AG (DE) 1996-08-14 EP claimed
US-5380918-A Converting 1-(4-acetoxyphenyl)ethyl carboxylate with an acidic catalyst BASF AKTIENGESELLSCHAFT (DE) 1995-01-10 US claimed
EP-0590557-A1 Process for preparing acetoxystyrene BASF Aktiengesellschaft (DE) 1994-04-06 EP claimed
JP-6192172-A None JP disclosed
CN-118459358-A Synthesis method and application of dihydro oat alkaloid D 国药国际医药科技(北京)有限公司 2024-08-09 CN disclosed
CN-118459358-A Synthesis method and application of dihydro oat alkaloid D 国药国际医药科技(北京)有限公司 2024-08-09 CN disclosed
CN-112939803-B Preparation process of dihydro oat alkaloid D 郑州轻工业大学 2023-07-18 CN disclosed
CN-112939803-B Preparation process of dihydro oat alkaloid D 郑州轻工业大学 2023-07-18 CN disclosed
CN-112939803-A Preparation process of dihydrooat alkaloid D 郑州轻工业大学 2021-06-11 CN disclosed
CN-112939803-A Preparation process of dihydrooat alkaloid D 郑州轻工业大学 2021-06-11 CN disclosed
EP-0590557-B1 Process for preparing acetoxystyrene BASF AG (DE) 1996-08-14 EP disclosed
EP-0673924-A1 PROPIONIC ACID DERIVATIVE TEIKOKU CHEMICAL INDUSTRY CO., LTD. (JP) 1995-09-27 EP disclosed
US-5380918-A Converting 1-(4-acetoxyphenyl)ethyl carboxylate with an acidic catalyst BASF AKTIENGESELLSCHAFT (DE) 1995-01-10 US disclosed
US-5380918-A Converting 1-(4-acetoxyphenyl)ethyl carboxylate with an acidic catalyst BASF AKTIENGESELLSCHAFT (DE) 1995-01-10 US disclosed
JP-H06192172-A PREPARATION OF 4-ACETOXYSTYLENE BASF AG 1994-07-12 JP disclosed
EP-0590557-A1 Process for preparing acetoxystyrene BASF Aktiengesellschaft (DE) 1994-04-06 EP disclosed
EP-0590557-A1 Process for preparing acetoxystyrene BASF Aktiengesellschaft (DE) 1994-04-06 EP disclosed