SCHEMBL8087889

SCHEMBL8087889

O=C1C(=O)N(O)c2ccccc21

nearest known ligand 0.57

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
CES1 P23141 12/20 0.57
TTR P02766 1/20 0.57
BCHE P06276 4/20 0.55
TGM2 P21980 2/20 0.55
ALDH1A1 P00352 3/20 0.53
CES2 O00748 2/20 0.53
GAA P10253 1/20 0.53
NPSR1 Q6W5P4 1/20 0.53
CHRM1 P11229 2/20 0.53
ALDH2 P05091 2/20 0.53
ALDH3A1 P30838 2/20 0.53
ACHE P22303 1/20 0.50
CHRM5 P08912 1/20 0.47
CHRM3 P20309 1/20 0.47
MAOA P21397 1/20 0.47
MAOB P27338 1/20 0.47
PARK7 Q99497 1/20 0.46

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
SCHEMBL9182801 0.75 KMT2A (0.45) CES1TTRBCHETGM2ALDH1A1
SCHEMBL9182793 0.75 KMT2A (0.45) CES1TTRBCHETGM2ALDH1A1
SCHEMBL2259762 0.74 CES1 (0.59) CES1TTRBCHETGM2ALDH1A1
SCHEMBL29711265 0.74 CES1 (0.59) CES1TTRBCHETGM2ALDH1A1
SCHEMBL27686651 0.74 CES1 (0.72) CES1TTRBCHETGM2ALDH1A1
SCHEMBL9236314 0.74 CES1 (0.72) CES1TTRBCHETGM2ALDH1A1
SCHEMBL3845335 0.73 CES1 (0.57) CES1TTRBCHETGM2ALDH1A1
SCHEMBL4092382 0.73 CES1 (0.57) CES1TTRBCHETGM2ALDH1A1
SCHEMBL995401 0.73 CES1 (1.00) CES1TTRBCHETGM2ALDH1A1
SCHEMBL126628 0.73 CES1 (1.00) CES1TTRBCHETGM2ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-115739177-A Acetyl oxidation catalyst, preparation method thereof and method for preparing vinyl acetate 万华化学集团股份有限公司 2023-03-07 CN claimed
CN-111018840-B 3-imidazole substituted isatin alcohol compound and preparation method and medical application thereof 西南大学 2022-09-09 CN claimed
CN-110963996-B Indanazolol compound containing acetophenone substituent, preparation method and medical application thereof 西南大学 2022-09-09 CN claimed
CN-107698567-B Isatin azole alcohol compound and preparation method and medical application thereof 西南大学 2020-09-15 CN claimed
CN-111018840-A 3-imidazole substituted isatin alcohol compound and preparation method and medical application thereof 西南大学 2020-04-17 CN claimed
CN-110963996-A Indanazolol compound containing acetophenone substituent, preparation method and medical application thereof 西南大学 2020-04-07 CN claimed
EP-0750490-B1 ISATIN DERIVATIVES FOR DYEING KERATIN-CONTAINING FIBRES HENKEL KGAA (DE) 2000-11-08 EP claimed
US-5743919-A HAIR DYES HENKEL KOMMANDITGESELLSCHAFT AUF AKTIEN (DE) 1998-04-28 US claimed
CN-115739177-A Acetyl oxidation catalyst, preparation method thereof and method for preparing vinyl acetate 万华化学集团股份有限公司 2023-03-07 CN disclosed
CN-110963996-B Indanazolol compound containing acetophenone substituent, preparation method and medical application thereof 西南大学 2022-09-09 CN disclosed
CN-110963996-B Indanazolol compound containing acetophenone substituent, preparation method and medical application thereof 西南大学 2022-09-09 CN disclosed
CN-111018840-B 3-imidazole substituted isatin alcohol compound and preparation method and medical application thereof 西南大学 2022-09-09 CN disclosed
CN-111018840-B 3-imidazole substituted isatin alcohol compound and preparation method and medical application thereof 西南大学 2022-09-09 CN disclosed
CN-111018840-B 3-imidazole substituted isatin alcohol compound and preparation method and medical application thereof 西南大学 2022-09-09 CN disclosed
CN-111239284-A A quality analysis method of radix Isatidis or its product 广州医科大学附属第一医院 2020-06-05 CN disclosed
CN-111018840-A 3-imidazole substituted isatin alcohol compound and preparation method and medical application thereof 西南大学 2020-04-17 CN disclosed
CN-111018840-A 3-imidazole substituted isatin alcohol compound and preparation method and medical application thereof 西南大学 2020-04-17 CN disclosed
CN-110963996-A Indanazolol compound containing acetophenone substituent, preparation method and medical application thereof 西南大学 2020-04-07 CN disclosed
CN-110963996-A Indanazolol compound containing acetophenone substituent, preparation method and medical application thereof 西南大学 2020-04-07 CN disclosed
US-5743919-A HAIR DYES HENKEL KOMMANDITGESELLSCHAFT AUF AKTIEN (DE) 1998-04-28 US disclosed