SCHEMBL7743142

SCHEMBL7743142

CC(C)OC(=O)C(=CC(=O)O)C(C)C

nearest known ligand 0.43

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
HCAR2 Q8TDS4 1/20 0.43
TSHR P16473 1/20 0.37
ADRA1A P35348 1/20 0.34
PDE4D Q08499 1/20 0.34
GAA P10253 3/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
ALDH1A1 P00352 2/20 0.32
TDP1 Q9NUW8 2/20 0.32
NPSR1 Q6W5P4 1/20 0.32
MAPT P10636 1/20 0.31
MEN1 O00255 1/20 0.31
KMT2A Q03164 1/20 0.31

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
SCHEMBL16160245 0.84 TSHR (0.42) HCAR2TSHRADRA1APDE4DGAA
SCHEMBL18283306 0.80 HCAR2 (0.34) HCAR2GAAALDH1A1MAPT
SCHEMBL18283305 0.80 HCAR2 (0.34) HCAR2GAAALDH1A1MAPT
SCHEMBL25263596 0.76 HCAR2 (0.45) HCAR2TSHRADRA1APDE4DGAA
SCHEMBL29558956 0.76 HCAR2 (0.45) HCAR2TSHRADRA1APDE4DGAA
SCHEMBL5940353 0.76 TSHR (0.39) HCAR2TSHRADRA1APDE4DGAA
SCHEMBL29558259 0.76 HCAR2 (0.45) HCAR2TSHRADRA1APDE4DGAA
SCHEMBL9709197 0.75
SCHEMBL9709452 0.75
SCHEMBL27638153 0.74 TSHR (0.37) HCAR2TSHRADRA1APDE4DGAA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2554049-B1 Herbicidal composition with improved efficiency, preparation method and use ARD SA (FR) 2016-03-02 EP disclosed
EP-2554049-A1 Herbicidal composition with improved efficiency, preparation method and use AGRO INDUSTRIE RECHERCHES ET DEVELOPPEMENTS (A.R.D.) (FR) 2013-02-06 EP disclosed
US-6429239-B1 WATER-INSOLUBLE POLYMERS AND WATER-DISPERSIBLE SILICON COMPOUNDS (SILANES, SILOXANES, AND POLYMERS) FO USE IN CONSTRUCTION MATERIALS SUCH AS HYDRAULIC CEMENTS WACKER-CHEMIE GMBH (DE) 2002-08-06 US disclosed
US-6423446-B1 COATING ACRYLONITRILE-STYRENE COPOLYMER, POLYMETHYL METHACRYLATE OR POLYDIISOPROPYL FUMARATE; APPLYING ACTIVE MATERIAL AND BINDER TO DISSOLVE; THERMO-COMPRESSION BONDING DAI NIPPON PRINTING CO., LTD. (JP) 2002-07-23 US disclosed
CN-1173148-A NCO-terminated vinyl telomers CIBA GEIGY AG (CH) 1998-02-11 CN disclosed
CN-1173227-A Polymers based on block copolymers CIBA GEIGY AG (CH) 1998-02-11 CN disclosed
EP-0244835-B1 LANGMUIR-BLODGETT ULTRATHIN MEMBRANE OF POLYFUMURATE NIPPON OIL AND FATS COMPANY, LIMITED (JP) 1992-08-26 EP disclosed
US-4907038-A Langmuir Blodgett ultrathin membrane of polyfumarate NIPPON OIL AND FATS CO., LTD. (JP) 1990-03-06 US disclosed
EP-0244835-A2 Langmuir-Blodgett ultrathin membrane of polyfumurate NIPPON OIL AND FATS COMPANY, LIMITED (JP) 1987-11-11 EP disclosed