SCHEMBL28325906

SCHEMBL28325906

COCc1cc(OC)c(O)c(OC)c1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AKR1B1 P15121 1/20 0.52
MET P08581 2/20 0.51
GAA P10253 4/20 0.50
ERN1 O75460 2/20 0.49
MAPT P10636 3/20 0.49
KDM4E B2RXH2 2/20 0.49
TNKS2 Q9H2K2 1/20 0.48
ALOX5 P09917 2/20 0.47
CA12 O43570 1/20 0.47
CA1 P00915 1/20 0.47
CA2 P00918 1/20 0.47
CA3 P07451 1/20 0.47
PKM P14618 1/20 0.47
CA4 P22748 1/20 0.47
CA6 P23280 1/20 0.47
CA5A P35218 1/20 0.47
CA7 P43166 1/20 0.47
CA9 Q16790 1/20 0.47
CA14 Q9ULX7 1/20 0.47
CA5B Q9Y2D0 1/20 0.47

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
SCHEMBL28499293 0.88 ERN1 (0.44) AKR1B1METGAAERN1MAPT
SCHEMBL28512340 0.86 AKR1B1 (0.52) AKR1B1METGAAMAPTKDM4E
SCHEMBL16372690 0.81 AKR1B1 (0.71) AKR1B1METGAAMAPTKDM4E
SCHEMBL7702890 0.81 AKR1B1 (0.55) AKR1B1GAAMAPTKDM4ETNKS2
SCHEMBL7959757 0.79 PTGS2 (0.64) MAPTCA9PTGS2TUBB4ATUBB
SCHEMBL13347320 0.79 CA2 (0.41) KDM4ECA2PTGS2KMT2AALDH1A1
SCHEMBL901445 0.79 PTGS2 (0.64) AKR1B1METGAAMAPTKDM4E
SCHEMBL1067240 0.79 TNKS2 (0.55) AKR1B1METGAAERN1MAPT
SCHEMBL28401208 0.78 ALOX5 (0.45) AKR1B1METGAAMAPTKDM4E
SCHEMBL5661792 0.78 MET (0.49) AKR1B1METGAAMAPTKDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-117800816-B Green synthesis method of polysubstituted benzyl ether and polysubstituted benzaldehyde 华东理工大学 2026-02-27 CN disclosed
CN-110809622-B Novel ambergris and/or indole fragrance compositions 西姆莱斯有限公司 2024-05-24 CN disclosed
CN-118043023-A Transparent aqueous perfume composition 威·曼父子有限公司 2024-05-14 CN disclosed
CN-113840540-B Perfume or flavour mixture 西姆莱斯股份公司 2024-04-30 CN disclosed
CN-117800816-A Green synthesis method of polysubstituted benzyl ether and polysubstituted benzaldehyde 华东理工大学 2024-04-02 CN disclosed
CN-110446778-B 2,3, 6-trimethylcyclohexanol as fragrance and/or flavoring agent 西姆莱斯有限公司 2024-03-01 CN disclosed
CN-112752745-B 2- (5-isopropyl-2-methylcyclohex-2-en-1-yl) acetaldehyde and 2- (6-isopropyl-3-methylcyclohex-2-en-1-yl) acetaldehyde as novel aromatic compounds 西姆莱斯股份公司 2024-01-26 CN disclosed
CN-117120407-A Aryl/alkenyl pentenal derivatives as fragrance chemicals 巴斯夫欧洲公司 2023-11-24 CN disclosed
CN-117120406-A Dialkyl pentene ether and dialkyl pentadiene ether derivatives as fragrances 巴斯夫欧洲公司 2023-11-24 CN disclosed
CN-117062899-A 2- (2- (3-methylbut-2-en-1-yl) phenyl) propanal and mixtures thereof as fragrance ingredients 巴斯夫欧洲公司 2023-11-14 CN disclosed
CN-112119148-A Composition comprising a metal oxide and a metal oxide 荷兰联合利华有限公司 2020-12-22 CN disclosed
CN-111770982-A Laundry detergent 荷兰联合利华有限公司 2020-10-13 CN disclosed
CN-111615551-A Laundry detergent 荷兰联合利华有限公司 2020-09-01 CN disclosed
CN-107072900-B High coverage, low odor malodor counteracting compounds and methods of use 国际香料和香精公司 2020-03-20 CN disclosed
CN-105722495-B Polyurea or polyurethane capsules 国际香料和香精公司 2020-02-28 CN disclosed
CN-110809622-A Novel ambergris and/or indole aromatic composition 西姆莱斯有限公司 2020-02-18 CN disclosed
CN-110769804-A Composition for improving odor 西姆莱斯股份公司 2020-02-07 CN disclosed
CN-110546247-A 4-ethyl-octene-2/3-carbonitriles as fragrances SYMRISE AG 2019-12-06 CN disclosed
CN-104546513-B The polymer encapsulating active substance of terpolymer coating 国际香料和香精公司 2019-11-15 CN disclosed
CN-209467444-U Consumer package and fabric treating fluid 荷兰联合利华有限公司 2019-10-08 CN disclosed