SCHEMBL7761789

SCHEMBL7761789

C=CC(=O)OC(C)COC(=O)CCCC(=O)OCC(C)OC(=O)C=C

nearest known ligand 0.52

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
TSHR P16473 6/20 0.52
MAPT P10636 1/20 0.45
ALDH1A1 P00352 2/20 0.40
LMNA P02545 2/20 0.40
HPGD P15428 1/20 0.38
PRKCA P17252 3/20 0.37
PRKCE Q02156 2/20 0.37
PRKCQ Q04759 2/20 0.37
PRKCD Q05655 2/20 0.37
CYP3A4 P08684 2/20 0.37
ATM Q13315 1/20 0.37
TDP1 Q9NUW8 1/20 0.37
KDM4E B2RXH2 1/20 0.36
DUSP3 P51452 1/20 0.36
MEN1 O00255 1/20 0.36
KMT2A Q03164 1/20 0.36

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
SCHEMBL23647296 0.97 TSHR (0.52) TSHRMAPTALDH1A1LMNAPRKCA
SCHEMBL7761791 0.94 TSHR (0.46) TSHRMAPTALDH1A1LMNAHPGD
SCHEMBL1151186 0.93 TSHR (0.55) TSHRMAPTALDH1A1LMNAHPGD
SCHEMBL27641861 0.91 TSHR (0.46) TSHRMAPTALDH1A1LMNAPRKCA
SCHEMBL17696340 0.87 TSHR (0.49) TSHRMAPTALDH1A1LMNAHPGD
SCHEMBL1071857 0.87 TSHR (0.49) TSHRMAPTALDH1A1LMNAHPGD
SCHEMBL19845081 0.87 TSHR (0.49) TSHRMAPTALDH1A1LMNAHPGD
SCHEMBL19845084 0.87 TSHR (0.49) TSHRMAPTALDH1A1LMNAHPGD
SCHEMBL7761807 0.86 TSHR (0.55) TSHRMAPTALDH1A1HPGDPRKCA
SCHEMBL27993897 0.85 TSHR (0.47) TSHRMAPTALDH1A1LMNAHPGD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0756208-B1 Resin composition for electrophotographic toner, and toner comprising it MITSUI CHEMICALS INC (JP) 2001-04-11 EP disclosed
US-6011119-A RESIN COMPOSITION SHOWS EXCELLENT CHARGING CHARACTERISTICS WITHOUT A CHARGE CONTROL AGENT; HIGH AND LOW MOLECULAR WEIGHT ADDITION POLYMERS AT LEAST ONE OF WHICH IS FROM AN UNSATURATED ANHYDRIDE AND AN ACRYLOYLOXYALKYL DICARBOXYLIC ACID ESTER MITSUI CHEMICALS, INC. (JP) 2000-01-04 US disclosed
EP-0756208-A1 Resin composition for electrophotographic toner, and toner comprising it MITSUI TOATSU CHEMICALS, INCORPORATED (JP) 1997-01-29 EP disclosed