SCHEMBL4453038

SCHEMBL4453038

C=CCOC(=O)C=CC(=O)OCC

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HCAR2 Q8TDS4 3/20 0.59
MAPT P10636 7/20 0.58
CACNA1B Q00975 1/20 0.58
APBA1 Q02410 1/20 0.58
TSHR P16473 1/20 0.44
APP P05067 1/20 0.44
ATM Q13315 1/20 0.43
ALDH1A1 P00352 2/20 0.43
NPSR1 Q6W5P4 1/20 0.42
CA12 O43570 1/20 0.42
CA1 P00915 1/20 0.42
CA2 P00918 1/20 0.42
CA7 P43166 1/20 0.42
CA9 Q16790 1/20 0.42
CA14 Q9ULX7 1/20 0.42
LMNA P02545 2/20 0.40
MDM2 Q00987 2/20 0.40
TTR P02766 1/20 0.39
DPP4 P27487 1/20 0.39
CYP3A4 P08684 1/20 0.38

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
SCHEMBL4453032 1.00 HCAR2 (0.59) HCAR2MAPTCACNA1BAPBA1TSHR
SCHEMBL7081971 1.00 HCAR2 (0.59) HCAR2MAPTCACNA1BAPBA1TSHR
Diethyl Maleate SCHEMBL20293748 1.00 HCAR2 (0.59) HCAR2MAPTCACNA1BAPBA1TSHR
Hydrochloric Acid SCHEMBL1073788 0.98 HCAR2 (0.57) HCAR2MAPTCACNA1BAPBA1TSHR
Hydrochloric Acid SCHEMBL1073790 0.98 HCAR2 (0.57) HCAR2MAPTCACNA1BAPBA1TSHR
Ether SCHEMBL7974942 0.89 MAPT (0.56) HCAR2MAPTCACNA1BAPBA1TSHR
SCHEMBL6885967 0.89 MAPT (0.69) HCAR2MAPTCACNA1BAPBA1TSHR
SCHEMBL36139 0.89 MAPT (0.69) HCAR2MAPTCACNA1BAPBA1TSHR
SCHEMBL36140 0.89 MAPT (0.69) HCAR2MAPTCACNA1BAPBA1TSHR
SCHEMBL36375 0.89 MAPT (0.69) HCAR2MAPTCACNA1BAPBA1TSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-102142585-B Overcharge inhibitor, and nonaqueous electrolyte solution and secondary battery using the same HITACHI LTD 2013-12-11 CN disclosed
CN-102142585-A Overcharge inhibitor, and nonaqueous electrolyte solution and secondary battery using the same HITACHI LTD 2011-08-03 CN disclosed
US-20090030160-A1 Polylactic Acid Complex and Production Method Thereof SUMITOMO ELECTRIC FINE POLYMER INC. (JP) 2009-01-29 US disclosed
US-20080213209-A1 Process for Producing Cross-Linked Material of Polylactic Acid and Cross-Linked Material of Polylactic Acid SUMITOMO ELECTRIC FINE POLYMER, INC. (JP) 2008-09-04 US disclosed
US-20050242466-A1 Process for producing transparent material made of polylactic acid and transparent material made of polylactic acid SUMITOMO ELECTRIC FINE POLYMER, INC. (JP) 2005-11-03 US disclosed
CN-1690105-A Process for producing transparent material made of polylactic acid and transparent material made of polylactic acid SUMITOMO ELEC FINE POLYMER INC (JP) 2005-11-02 CN disclosed
EP-1331494-A1 COMPOSITION FOR OPTICAL MATERIAL, OPTICAL MATERIAL, AND PLASTIC LENS NOF CORPORATION (JP) 2003-07-30 EP disclosed
US-5576054-A ULTRAVIOLET RESISTANT OPAQUE GLASS COATING GENERAL ELECTRIC COMPANY (US) 1996-11-19 US disclosed
EP-0234720-B1 SILICONE RUBBER COMPOSITIONS GENERAL ELECTRIC COMPANY (US) 1991-09-18 EP disclosed
EP-0234720-A1 Silicone rubber compositions GENERAL ELECTRIC COMPANY (US) 1987-09-02 EP disclosed
US-3941741-A POLYSILOXANE GENERAL ELECTRIC COMPANY (US) 1976-03-02 US disclosed