SCHEMBL3068992

SCHEMBL3068992

O=C(O)C[S+]([O-])c1ccccc1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CES1 P23141 3/20 0.39
AKR1B1 P15121 2/20 0.39
CES2 O00748 2/20 0.39
ALOX15 P16050 3/20 0.39
ALDH1A1 P00352 1/20 0.39
KEAP1 Q14145 1/20 0.37
FFAR1 O14842 2/20 0.35
NR4A2 P43354 1/20 0.35
MAPK1 P28482 2/20 0.34
SMN1; SMN2 Q16637 2/20 0.34
KDM4E B2RXH2 1/20 0.34
MEN1 O00255 1/20 0.34
CYP3A4 P08684 1/20 0.34
MAPT P10636 1/20 0.34
HPGD P15428 1/20 0.34
KMT2A Q03164 1/20 0.34
TDP1 Q9NUW8 1/20 0.34
CA2 P00918 1/20 0.34
CA4 P22748 1/20 0.34
TSHR P16473 2/20 0.34

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
SCHEMBL30828026 1.00 CES1 (0.39) CES1AKR1B1CES2ALOX15ALDH1A1
SCHEMBL9639802 1.00 CES1 (0.39) CES1AKR1B1CES2ALOX15ALDH1A1
SCHEMBL11361617 0.83 CA2 (0.43) CES2ALOX15ALDH1A1KDM4EMEN1
SCHEMBL11889792 0.83 MAPT (0.38) CES1CES2ALOX15ALDH1A1MAPK1
SCHEMBL3227911 0.83 ALDH1A1 (0.41) CES1CES2ALOX15ALDH1A1KDM4E
SCHEMBL10711481 0.83 CA2 (0.41) CES1CES2ALOX15ALDH1A1KDM4E
SCHEMBL6912635 0.83 ALDH1A1 (0.41) CES1CES2ALOX15ALDH1A1KDM4E
SCHEMBL9456919 0.81 KMT2A (0.41) CES1CES2ALDH1A1KEAP1FFAR1
SCHEMBL9456923 0.81 KMT2A (0.41) CES1CES2ALDH1A1KEAP1FFAR1
SCHEMBL9457024 0.81 KMT2A (0.41) CES1CES2ALDH1A1KEAP1FFAR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-110128376-B Compound, preparation method and application of compound as latent epoxy curing agent 万华化学集团股份有限公司 2020-11-20 CN claimed
CN-110128376-A A kind of compound and preparation method and its purposes as resting form epoxy hardener 万华化学集团股份有限公司 2019-08-16 CN claimed
JP-52078892-A None JP disclosed
CN-117778339-A Sulfoxide reductase mutant and application thereof in preparation of chiral sulfoxide and sulfinyl ester 遵义医科大学 2024-03-29 CN disclosed
CN-114829447-A Brush prodrug and use thereof 麻省理工学院 2022-07-29 CN disclosed
CN-112656954-A Lipid formulations for delivery of messenger RNA 夏尔人类遗传性治疗公司 2021-04-16 CN disclosed
CN-112618732-A Lipid formulations for delivery of messenger RNA 夏尔人类遗传性治疗公司 2021-04-09 CN disclosed
CN-105813656-B Lipid formulations for delivery of messenger RNA 夏尔人类遗传性治疗公司 2021-01-15 CN disclosed
CN-110128376-B Compound, preparation method and application of compound as latent epoxy curing agent 万华化学集团股份有限公司 2020-11-20 CN disclosed
CN-110128376-A A kind of compound and preparation method and its purposes as resting form epoxy hardener 万华化学集团股份有限公司 2019-08-16 CN disclosed
CN-109619269-A Special feed for sea cucumber cultured in net cage 浙江海洋大学 2019-04-16 CN disclosed
US-4595532-A N-(substituted-methyl)-azetidin-2-ones UNIVERSITY OF NOTRE DAME DU LAC (US) 1986-06-17 US disclosed
EP-0116432-A2 Improvements in or relating to N-(substituted-methyl)-azetidin-2-ones THE UNIVERSITY OF NOTRE DAME DU LAC (US) 1984-08-22 EP disclosed
EP-0021177-B1 MAYTANSINOIDS, THEIR PRODUCTION AND USE Takeda Chemical Industries, Ltd. (JP) 1984-02-08 EP disclosed
US-4308268-A ANTITUMOR, ANTIMITOTIC, FUNGICIDES, ANTIPROTOZOA AGENTS TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1981-12-29 US disclosed
US-4245107-A ANTIBIOTICS ASAHI KASEI KOGYO KABUSHIKI KAISHA (JP) 1981-01-13 US disclosed
EP-0021177-A1 Maytansinoids, their production and use Takeda Chemical Industries, Ltd. (JP) 1981-01-07 EP disclosed
US-4229573-A BACTERICIDES ASAHI KASEI KOGYO KABUSHIKI KAISHA (JP) 1980-10-21 US disclosed
US-4172197-A BACTERICIDES ASAHI KASEI KOGYO KABUSHIKI KAISHA (JP) 1979-10-23 US disclosed
JP-S5278892-A PREPARATION OF PENICILLINS AND CEPHALOSPORINS HAVING PHENYLSULFINYL FR OOPGROOP ASAHI CHEM IND CO LTD 1977-07-02 JP disclosed