SCHEMBL11118030

SCHEMBL11118030

COC(=O)C(C(=O)OC)C(C(=O)OC)C(C(=O)OC)C(C(=O)OC)C(=O)OC

nearest known ligand 0.88

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 2/20 0.88
CA14 Q9ULX7 2/20 0.39
ALDH1A1 P00352 2/20 0.37
KMT2A Q03164 3/20 0.36
CA12 O43570 1/20 0.36
CA1 P00915 1/20 0.34
CA2 P00918 1/20 0.34
ZDHHC7 Q9NXF8 1/20 0.32
TSHR P16473 2/20 0.32
KEAP1 Q14145 1/20 0.32
NFE2L2 Q16236 1/20 0.32
HCAR2 Q8TDS4 1/20 0.32
MEN1 O00255 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
Formic Acid Methyl Ester SCHEMBL11133153 0.87 SMN1; SMN2 (0.68) SMN1; SMN2CA14KMT2ACA12TSHR
SCHEMBL857611 0.86 SMN1; SMN2 (0.75) SMN1; SMN2CA14ALDH1A1KMT2ACA12
SCHEMBL857610 0.86 SMN1; SMN2 (0.75) SMN1; SMN2CA14ALDH1A1KMT2ACA12
SCHEMBL4616218 0.83 SMN1; SMN2 (0.71) SMN1; SMN2CA14ALDH1A1KMT2ACA12
SCHEMBL5328444 0.76 SMN1; SMN2 (0.61) SMN1; SMN2CA14ALDH1A1KMT2ACA12
SCHEMBL5328441 0.76 SMN1; SMN2 (0.61) SMN1; SMN2CA14ALDH1A1KMT2ACA12
SCHEMBL5512536 0.75 SMN1; SMN2 (0.60) SMN1; SMN2CA14ALDH1A1KMT2ACA12
SCHEMBL561667 0.75 SMN1; SMN2 (0.60) SMN1; SMN2CA14ALDH1A1KMT2ACA12
SCHEMBL188811 0.75 SMN1; SMN2 (0.70) SMN1; SMN2CA14ALDH1A1KMT2ACA12
SCHEMBL11422036 0.75 SMN1; SMN2 (0.60) SMN1; SMN2CA14ALDH1A1KMT2ACA12

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-0028430-B1 A PROCESS FOR THE ELECTROREDUCTIVE PREPARATION OF ORGANIC COMPOUNDS SHELL INTERNATIONALE RESEARCHMAATSCHAPPIJ B.V. (NL) 1984-01-18 EP disclosed
EP-0028430-A1 A process for the electroreductive preparation of organic compounds SHELL INTERNATIONALE RESEARCHMAATSCHAPPIJ B.V. (NL) 1981-05-13 EP disclosed
US-4013524-A Electrolytic carboxylation and dimerization of olefins MONSANTO COMPANY (US) 1977-03-22 US disclosed