SCHEMBL28546232

SCHEMBL28546232

C[C@H](CON)Oc1ccc(Cl)cc1

nearest known ligand 0.46

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 4/20 0.45
POLB P06746 1/20 0.45
L3MBTL1 Q9Y468 1/20 0.44
IDO1 P14902 2/20 0.41
AGXT P21549 2/20 0.41
P2RX3 P56373 1/20 0.39
SCN4A P35499 2/20 0.39
SLC6A2 P23975 1/20 0.38
SLC6A3 Q01959 1/20 0.38
PPARG P37231 3/20 0.38
PPARA Q07869 3/20 0.38
GAA P10253 1/20 0.38
NPSR1 Q6W5P4 1/20 0.38
GPR55 Q9Y2T6 1/20 0.38
ADRB2 P07550 1/20 0.38

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
SCHEMBL28531579 1.00 SIGMAR1 (0.45) SIGMAR1POLBL3MBTL1IDO1AGXT
SCHEMBL8421896 1.00 SIGMAR1 (0.45) SIGMAR1POLBL3MBTL1IDO1AGXT
Hydrochloric Acid SCHEMBL29223868 0.98 SIGMAR1 (0.48) SIGMAR1POLBL3MBTL1IDO1AGXT
Hydrochloric Acid SCHEMBL8421889 0.98 SIGMAR1 (0.48) SIGMAR1POLBL3MBTL1IDO1AGXT
Hydroxyamine SCHEMBL5878435 0.96 SIGMAR1 (0.47) SIGMAR1POLBL3MBTL1IDO1AGXT
Sulfuric Acid SCHEMBL8422013 0.90 SIGMAR1 (0.43) SIGMAR1POLBL3MBTL1PPARGPPARA
SCHEMBL10869624 0.82 ACACB (0.38) IDO1AGXT
SCHEMBL9048125 0.82 FFAR1 (0.51) SLC6A2SLC6A3
SCHEMBL29366029 0.81 POLB (0.42) SIGMAR1POLBL3MBTL1IDO1AGXT
SCHEMBL29416529 0.81 IDO1 (0.41) SIGMAR1IDO1SCN4A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-117986168-A Cyclohexenone compound, preparation method thereof and application of cyclohexenone compound as herbicide 山东德瑞克化工科技有限公司 2024-05-07 CN disclosed
CN-116806829-A Pesticide composition and application thereof and herbicide 辽宁先达农业科学有限公司 2023-09-29 CN disclosed
CN-112655706-B Herbicidal composition, application thereof and herbicide 辽宁先达农业科学有限公司 2023-08-25 CN disclosed
CN-112655710-B Pesticide composition and application thereof and herbicide 辽宁先达农业科学有限公司 2023-06-16 CN disclosed
CN-112568223-B Herbicidal composition, application thereof and herbicide 辽宁先达农业科学有限公司 2023-04-21 CN disclosed
CN-112568222-B Herbicidal composition, application thereof and herbicide 辽宁先达农业科学有限公司 2023-04-21 CN disclosed
CN-112655710-A Pesticide composition, application thereof and herbicide 辽宁先达农业科学有限公司 2021-04-16 CN disclosed
CN-112655706-A Weeding composition, application thereof and herbicide 辽宁先达农业科学有限公司 2021-04-16 CN disclosed
CN-112568222-A Weeding composition, application thereof and herbicide 辽宁先达农业科学有限公司 2021-03-30 CN disclosed
CN-112568223-A Weeding composition, application thereof and herbicide 辽宁先达农业科学有限公司 2021-03-30 CN disclosed
CN-112535174-A Weeding composition, application thereof and herbicide 辽宁先达农业科学有限公司 2021-03-23 CN disclosed