SCHEMBL6774653

SCHEMBL6774653

OC(O)OCc1ccccc1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 3/20 0.52
CA1 P00915 4/20 0.52
SLC1A3 P43003 2/20 0.50
SLC1A2 P43004 2/20 0.50
SLC1A1 P43005 2/20 0.50
CYP1A2 P05177 2/20 0.50
CYP2C19 P33261 2/20 0.50
KMT2A Q03164 2/20 0.50
MEN1 O00255 1/20 0.50
CYP2D6 P10635 1/20 0.50
CYP2C9 P11712 1/20 0.50
CA2 P00918 2/20 0.48
CA9 Q16790 2/20 0.48
CA7 P43166 1/20 0.48
IDO1 P14902 1/20 0.48
AGXT P21549 1/20 0.46
ALDH1A1 P00352 4/20 0.45
SLC6A2 P23975 3/20 0.45
SLC6A3 Q01959 3/20 0.45
LMNA P02545 2/20 0.45

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
Bromide SCHEMBL29032034 0.98 CA1 (0.50) TSHRCA1SLC1A3SLC1A2SLC1A1
SCHEMBL620072 0.81 TSHR (0.48) TSHRCA1SLC1A3SLC1A2SLC1A1
SCHEMBL27356768 0.81 TSHR (0.48) TSHRCA1SLC1A3SLC1A2SLC1A1
SCHEMBL29172647 0.81 CA1 (0.48) TSHRCA1SLC1A3SLC1A2SLC1A1
SCHEMBL51132 0.81 RCE1 (0.49) TSHRCA1SLC1A3SLC1A2SLC1A1
SCHEMBL23735671 0.81 SLC1A1 (0.56) TSHRCA1SLC1A3SLC1A2SLC1A1
SCHEMBL18133061 0.81 RCE1 (0.49) TSHRCA1SLC1A3SLC1A2SLC1A1
SCHEMBL6964566 0.79 RCE1 (0.47) TSHRCA1SLC1A3SLC1A2SLC1A1
SCHEMBL7155541 0.79 MAPT (0.53) TSHRCA1SLC1A3SLC1A2SLC1A1
SCHEMBL692556 0.79 SLC6A2 (0.47) TSHRCA1SLC1A3SLC1A2SLC1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-112574073-B Process for recycling o-methyl formate benzyl sulfonamide production wastewater 河北允升精细化工有限公司 2022-11-18 CN claimed
CN-108530642-B Biodegradable triblock hetero-arm star-shaped amphiphilic polymer material and preparation method thereof 四川大学 2021-01-15 CN disclosed
CN-108348897-B Organic zinc supported catalyst, method for producing the same, and method for producing polyalkylene carbonate resin using the catalyst LG化学株式会社 2020-12-08 CN disclosed
EP-1486499-A1 Endo-2,3-epoxy-7-oxabicylco[2.2.1]heptane-endo-5-carboxylic acid derivative SAGAMI CHEMICAL RESEARCH CENTER (JP) 2004-12-15 EP disclosed
US-6797832-B1 Process for the production of 5-oxy-7-oxabicyclo [4.1.0] hept-3-ene-3-carboxylic acid esters SAGAMI CHEMICAL RESEARCH CENTER (JP) 2004-09-28 US disclosed
EP-1245569-A1 PROCESS FOR THE PRODUCTION OF 5-OXY-7-OXABICYCLO- 4.1.0]HEPT-3-E NE-3-CARBOXYLIC ACID ESTERS SAGAMI CHEMICAL RESEARCH CENTER (JP) 2002-10-02 EP disclosed
US-6103901-A Process for preparing a 2-(2-amino-1,6-dihydro-6-oxo-purin-9-yl)methoxy-1,3-propanediol derivative SYNTEX (U.S.A.) INC. (US) 2000-08-15 US disclosed
US-5840890-A Process for preparing a 2-(2-amino-1,6-dihydro-6-oxo-purin-9-yl)methoxy-1,3-propanediol derivative SYNTEX (U.S.A.) INC. (US) 1998-11-24 US disclosed
US-4544553-A INSECTICIDES, MITICIDES, NEMATORCIDES, FUNGICIDES/ R ACNE ROHM AND HAAS COMPANY (US) 1985-10-01 US disclosed
US-4264502-A N-(arylthiocarbamoyl)-2-amino-1H-isoindole-1,3-(2H)diones and use as plant growth regulators GULF OIL CORPORATION (US) 1981-04-28 US disclosed