SCHEMBL28340663

SCHEMBL28340663

CCC=C(CCCCCC)OC(=O)OC(=CCC)CCCCCC

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CES2 O00748 4/20 0.45
CES1 P23141 4/20 0.45
GPR84 Q9NQS5 7/20 0.43
PPARG P37231 7/20 0.43
PPARD Q03181 7/20 0.43
PPARA Q07869 7/20 0.43
HDAC11 Q96DB2 5/20 0.43
TSHR P16473 5/20 0.43
PTPN1 P18031 3/20 0.43
ALDH1A1 P00352 3/20 0.43
TLR2 O60603 2/20 0.43
TDP1 Q9NUW8 2/20 0.43
FABP4 P15090 2/20 0.43
SLC22A6 Q4U2R8 1/20 0.43
SLC22A8 Q8TCC7 1/20 0.43
MEN1 O00255 1/20 0.43
ESR1 P03372 1/20 0.43
ALOX15 P16050 1/20 0.43
PDE4A P27815 1/20 0.43
KMT2A Q03164 1/20 0.43

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
SCHEMBL28006435 0.90 SOAT1 (0.45) CES2CES1GPR84PPARGPPARD
SCHEMBL6153227 0.90 SOAT1 (0.45) CES2CES1GPR84PPARGPPARD
SCHEMBL20135760 0.90 SOAT1 (0.45) CES2CES1GPR84PPARGPPARD
SCHEMBL25438937 0.88 CES2 (0.41) CES2CES1GPR84PPARGPPARD
SCHEMBL845976 0.88 CES2 (0.41) CES2CES1GPR84PPARGPPARD
SCHEMBL845975 0.88 CES2 (0.41) CES2CES1GPR84PPARGPPARD
SCHEMBL4947180 0.88 CES2 (0.41) CES2CES1GPR84PPARGPPARD
SCHEMBL28642380 0.87 GPR84 (0.47) CES2CES1GPR84PPARGPPARD
SCHEMBL22660835 0.87 NAAA (0.46) CES2CES1GPR84PPARGPPARD
SCHEMBL28629832 0.87 CES2 (0.43) CES2CES1GPR84PPARGPPARD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-111818800-A Pest control method and pest control agent composition 日本曹达株式会社 2020-10-23 CN claimed
CN-112204021-B Novel heteroaryl triazoles and heteroaryl tetrazoles as pesticides 拜耳公司 2024-05-28 CN disclosed
CN-117567338-A Novel heteroaryl triazole compounds as pesticides 拜耳公司 2024-02-20 CN disclosed
CN-115803317-A Azabicyclo (thio) amides as fungicidal compounds 拜耳作物科学股份公司 2023-03-14 CN disclosed
CN-115515426-A Active compound combinations and fungicide compositions comprising them 拜耳公司 2022-12-23 CN disclosed
CN-114641467-A Substituted sulfonamides for controlling animal pests 拜耳公司 2022-06-17 CN disclosed
CN-114615891-A High-potency formulations based on 2- [ (2, 4-dichlorophenyl) methyl ] -4,4' -dimethyl-3-isoxazolidone and a pre-emergent herbicide 拜耳公司 2022-06-10 CN disclosed
CN-114007421-A Absorption-promoting ULV formulations 拜耳公司 2022-02-01 CN disclosed
CN-113840533-A Active compound combinations 拜耳公司 2021-12-24 CN disclosed
CN-112911934-A Use of cyclodextrins as agrochemical delivery systems 阿达玛马克西姆有限公司 2021-06-04 CN disclosed
CN-111818800-A Pest control method and pest control agent composition 日本曹达株式会社 2020-10-23 CN disclosed
CN-107810188-B Fused bicyclic heterocyclic derivatives as pest control agents and intermediate products 拜耳作物科学股份公司 2020-09-22 CN disclosed
CN-111601802-A Heterocyclic compounds as pesticides 拜耳股份有限公司 2020-08-28 CN disclosed
CN-107304181-B Spirocyclic tetronic acid compound and preparation method and application thereof 湖南化工研究院有限公司 2020-08-14 CN disclosed
CN-111465596-A Pyridine salt and pest control agent 日本曹达株式会社 2020-07-28 CN disclosed
CN-110678442-A Novel aniline compound PI工业有限公司 2020-01-10 CN disclosed
CN-110650628-A Trisubstituted silylheteroaryloxyquinolines and analogs thereof 拜耳公司 2020-01-03 CN disclosed
CN-110582484-A Trisubstituted silylmethylphenoxyquinolines and analogs thereof 拜耳公司 2019-12-17 CN disclosed