SCHEMBL9259355

SCHEMBL9259355

CC(C)COP([O])(=O)OCC(C)C

nearest known ligand 0.38

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.38
CYP3A4 P08684 1/20 0.35
GAA P10253 1/20 0.35
NPSR1 Q6W5P4 1/20 0.35
MEN1 O00255 4/20 0.33
KMT2A Q03164 4/20 0.33
TSHR P16473 3/20 0.31
LMNA P02545 1/20 0.31
SMN1; SMN2 Q16637 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
SCHEMBL133326 0.79 TSHR (0.45) ALDH1A1CYP3A4GAANPSR1MEN1
SCHEMBL11034702 0.78 SMN1; SMN2 (0.39) ALDH1A1CYP3A4GAANPSR1MEN1
SCHEMBL11603888 0.78 SMN1; SMN2 (0.39) ALDH1A1CYP3A4GAANPSR1MEN1
SCHEMBL9257926 0.78
SCHEMBL11704956 0.78 SMN1; SMN2 (0.39) ALDH1A1CYP3A4GAANPSR1MEN1
Potassium Ion SCHEMBL7160375 0.78 SMN1; SMN2 (0.39) ALDH1A1CYP3A4GAANPSR1MEN1
Zinc Ion SCHEMBL1396966 0.78 SMN1; SMN2 (0.39) ALDH1A1CYP3A4GAANPSR1MEN1
SCHEMBL5407738 0.77 NPSR1 (0.39) ALDH1A1CYP3A4GAANPSR1MEN1
SCHEMBL8971191 0.77
SCHEMBL16369341 0.74 NPSR1 (0.42) ALDH1A1CYP3A4GAANPSR1MEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10439252-B2 Electrolyte solution for electrochemical device, and electrochemical device FUJIFILM WAKO PURE CHEMICAL CORPORATION (JP) 2019-10-08 US disclosed
US-20150364792-A1 ELECTROLYTE SOLUTION FOR ELECTROCHEMICAL DEVICE, AND ELECTROCHEMICAL DEVICE WAKO PURE CHEMICAL INDUSTRIES, LTD. (JP) 2015-12-17 US disclosed
US-5391564-A E.g., rhizoxin-13-yl 3-methylthiopropionate; anticarcinogenic agents SANKYO COMPANY, LIMITED (JP) 1995-02-21 US disclosed
US-5352689-A Rhizoxin derivatives and their use as anti-tumor agents SANKYO COMPANY, LIMITED (JP) 1994-10-04 US disclosed
EP-0350315-B1 RHIZOXIN DERIVATES AND THEIR USE AS ANTI-TUMOR AGENTS SANKYO COMPANY LIMITED (JP) 1993-06-16 EP disclosed
EP-0350315-A1 Rhizoxin derivates and their use as anti-tumor agents SANKYO COMPANY LIMITED (JP) 1990-01-10 EP disclosed