SCHEMBL13725948

SCHEMBL13725948

CCOC(=O)CCOC(=O)/C=C/C(=O)OCCC(=O)OCC

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HCAR2 Q8TDS4 5/20 0.54
ATM Q13315 1/20 0.54
CYP1A2 P05177 1/20 0.47
MGAM O43451 1/20 0.46
GAA P10253 1/20 0.46
SI P14410 1/20 0.46
MGAM2 Q2M2H8 1/20 0.46
ALDH1A1 P00352 3/20 0.43
TRPA1 O75762 1/20 0.43
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
NR1I2 O75469 1/20 0.42
PGR P06401 1/20 0.42
ADORA3 P0DMS8 1/20 0.42
PTGS2 P35354 1/20 0.42
PDE4D Q08499 1/20 0.42

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
SCHEMBL13724887 1.00 HCAR2 (0.54) HCAR2ATMCYP1A2MGAMGAA
SCHEMBL13725947 0.92 HCAR2 (0.68) HCAR2ATMCYP1A2MGAMGAA
SCHEMBL13724885 0.92 HCAR2 (0.68) HCAR2ATMCYP1A2MGAMGAA
SCHEMBL8175606 0.86 HCAR2 (0.53) HCAR2ATMMGAMGAASI
SCHEMBL5829420 0.83 TSHR (0.57) HCAR2CYP1A2MGAMGAASI
SCHEMBL11556033 0.80 TSHR (0.52) HCAR2ATMALDH1A1CA12CA14
SCHEMBL4646359 0.80 HCAR2 (0.47) HCAR2ATMALDH1A1TRPA1CA12
SCHEMBL4643654 0.80 HCAR2 (0.47) HCAR2ATMALDH1A1TRPA1CA12
SCHEMBL4643643 0.80 HCAR2 (0.47) HCAR2ATMALDH1A1TRPA1CA12
SCHEMBL4642111 0.80 HCAR2 (0.47) HCAR2ATMMGAMGAASI

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2019143560-A9 METHODS FOR PROMOTING MITOCHONDRIAL BIOGENESIS IN NEURAL CELLS THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2019-09-12 WO claimed
WO-2019143560-A1 METHODS FOR PROMOTING MITOCHONDRIAL BIOGENESIS IN NEURAL CELLS THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2019-07-25 WO claimed
WO-2017147505-A1 METHODS OF TREATING MUSCLE AND LIVER DISORDERS THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2017-08-31 WO claimed
WO-2019143560-A9 METHODS FOR PROMOTING MITOCHONDRIAL BIOGENESIS IN NEURAL CELLS THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2019-09-12 WO disclosed
WO-2019143560-A1 METHODS FOR PROMOTING MITOCHONDRIAL BIOGENESIS IN NEURAL CELLS THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2019-07-25 WO disclosed
WO-2017147505-A1 METHODS OF TREATING MUSCLE AND LIVER DISORDERS THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2017-08-31 WO disclosed
WO-2012149478-A2 AGENTS USEFUL FOR TREATING FRIEDREICH'S ATAXIA AND OTHER NEURODEGENERATIVE DISEASES SERKET PHARMA, LLC (US) 2012-11-01 WO disclosed