SCHEMBL2321858

SCHEMBL2321858

COc1ccccc1/C=C/CO

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NFE2L2 Q16236 4/20 0.59
TFEB P19484 1/20 0.58
TRPA1 O75762 1/20 0.56
KDM4E B2RXH2 4/20 0.56
ALDH1A1 P00352 2/20 0.53
TSHR P16473 1/20 0.53
CYP1A1 P04798 2/20 0.51
CYP1A2 P05177 2/20 0.51
CYP1B1 Q16678 2/20 0.51
NPC1 O15118 2/20 0.51
MAPT P10636 2/20 0.51
RAB9A P51151 2/20 0.51
LMNA P02545 2/20 0.51
BCHE P06276 1/20 0.51
ALOX5 P09917 1/20 0.50
PTGS1 P23219 1/20 0.50
PTGS2 P35354 1/20 0.50
GRIK1 P39086 1/20 0.50
GRIK2 Q13002 1/20 0.50
GRIK3 Q13003 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
SCHEMBL12749162 1.00 NFE2L2 (0.59) NFE2L2TFEBTRPA1KDM4EALDH1A1
SCHEMBL2321861 1.00 NFE2L2 (0.59) NFE2L2TFEBTRPA1KDM4EALDH1A1
SCHEMBL29965840 1.00 NFE2L2 (0.59) NFE2L2TFEBTRPA1KDM4EALDH1A1
SCHEMBL29805387 0.86 NFE2L2 (0.62) NFE2L2TFEBTRPA1KDM4EALDH1A1
SCHEMBL30678623 0.86 NFE2L2 (0.62) NFE2L2TFEBTRPA1KDM4EALDH1A1
SCHEMBL5321700 0.85 NFE2L2 (0.56) NFE2L2TFEBTRPA1KDM4EALDH1A1
SCHEMBL28250254 0.85 NFE2L2 (0.64) NFE2L2KDM4ECYP1A1CYP1A2CYP1B1
SCHEMBL9714159 0.85 NFE2L2 (0.64) NFE2L2KDM4ECYP1A1CYP1A2CYP1B1
SCHEMBL5085210 0.82 NFE2L2 (0.58) NFE2L2TFEBTRPA1KDM4EALDH1A1
SCHEMBL257125 0.82 NFE2L2 (0.58) NFE2L2TFEBTRPA1KDM4EALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-117142916-B Preparation method of allyl sulfone compound 安徽金桐精细化学有限公司 2024-10-11 CN claimed
CN-117142916-A Preparation method of allyl sulfone compound 安徽金桐精细化学有限公司 2023-12-01 CN claimed
CN-114773229-A 1,6 diene compound and preparation method and application thereof 南京工业大学 2022-07-22 CN claimed
CN-113277963-A Amine compound and preparation method and application thereof 南京工业大学 2021-08-20 CN claimed
CN-112047842-A 1, 4-diene compound and preparation method and application thereof 南京工业大学 2020-12-08 CN claimed
CN-118271180-A Preparation method of allylamine compound 大连理工大学 2024-07-02 CN disclosed
CN-114773229-B 1,6 Diene compound and preparation method and application thereof 南京工业大学 2024-06-14 CN disclosed
CN-115745718-B Preparation method of delta-hydroxy substituted aromatic acetonitrile derivative 浙江工业大学台州研究院 2024-02-13 CN disclosed
CN-117142916-A Preparation method of allyl sulfone compound 安徽金桐精细化学有限公司 2023-12-01 CN disclosed
CN-115745718-A Preparation method of delta-hydroxy substituted aromatic acetonitrile derivative 浙江工业大学台州研究院 2023-03-07 CN disclosed
CN-114773229-A 1,6 diene compound and preparation method and application thereof 南京工业大学 2022-07-22 CN disclosed
CN-112851624-A Synthetic method of 2-benzoxazepine compound 云南大学 2021-05-28 CN disclosed
US-4687727-A Light-sensitive planographic printing plate with layer of diazo resin containing photopolymerizable composition FUJI PHOTO FILM CO., LTD. (JP) 1987-08-18 US disclosed
US-4556409-A CONTROLLING SOYBEAN GROWTH EMERY INDUSTRIES INC. (US) 1985-12-03 US disclosed
US-4522749-A Process for augmenting or enhancing the aroma of a fragrance by adding a vinylcyclopropane compound NATIONAL DISTILLERS AND CHEMICAL CORPORATION (US) 1985-06-11 US disclosed
US-4511645-A ALLYL METHACRYLATE-METHACRYLIC ACID COPOLYMER, CURING AGENT, PHOTOINITIATOR FUJI PHOTO FILM CO., LTD. (JP) 1985-04-16 US disclosed
EP-0104863-A2 Light-sensitive planographic printing plate FUJI PHOTO FILM CO., LTD. (JP) 1984-04-04 EP disclosed
US-4418202-A HERBICIDES, PESTICIDES EMERY INDUSTRIES, INC. (US) 1983-11-29 US disclosed
US-4380656-A PESTICIDES, HERBICIDES EMERY INDUSTRIES, INC. (US) 1983-04-19 US disclosed
US-3995054-A MITICIDES ZOECON CORPORATION (US) 1976-11-30 US disclosed