SCHEMBL8034212

SCHEMBL8034212

CCC1=C(OC(=O)OC)C(c2ccc(Cl)cc2)C(OC(=O)OC)=C(CC)O1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HPGD P15428 3/20 0.43
ALDH1A1 P00352 3/20 0.43
KDM4E B2RXH2 2/20 0.43
GLA P06280 1/20 0.43
POLB P06746 1/20 0.43
GAA P10253 1/20 0.43
CASP1 P29466 1/20 0.43
CASP7 P55210 1/20 0.43
HSD17B10 Q99714 1/20 0.43
NPSR1 Q6W5P4 2/20 0.42
ABCC1 P33527 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.40
CACNA1F O60840 1/20 0.40
CACNA1D Q01668 1/20 0.40
CACNA1S Q13698 1/20 0.40
CACNA1C Q13936 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
HTT P42858 3/20 0.36
LMNA P02545 1/20 0.36
SLC6A4 P31645 7/20 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
SCHEMBL8034242 0.83 HPGD (0.47) HPGDALDH1A1KDM4EGLAPOLB
SCHEMBL10786550 0.77 CACNA1F (0.53) HPGDALDH1A1KDM4EGLAPOLB
SCHEMBL8563432 0.75 ABCC1 (0.46) HPGDALDH1A1KDM4EGLAPOLB
SCHEMBL9691059 0.71 CACNA1F (0.50) HPGDALDH1A1KDM4EGLAPOLB
SCHEMBL8396236 0.70 ALDH1A1 (0.54) HPGDALDH1A1KDM4EHSD17B10NPSR1
SCHEMBL8437311 0.69 CACNA1F (0.51) HPGDALDH1A1KDM4EGLAPOLB
SCHEMBL8438113 0.69 HPGD (0.60) HPGDALDH1A1KDM4EGLAPOLB
SCHEMBL8468645 0.68 HPGD (0.43) HPGDALDH1A1KDM4EGLAPOLB
SCHEMBL8319383 0.67 HPGD (0.43) HPGDALDH1A1KDM4EGLAPOLB
SCHEMBL1598439 0.66 KMT2A (0.53) HPGDALDH1A1HSD17B10SMN1; SMN2HTT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0758648-B1 Substituted 4H-pyrans with a modulating effect on calcium channels BAYER AG (DE) 2000-03-15 EP disclosed
EP-0758648-A1 Substituted 4H-pyrans with a modulating effect on calcium channels BAYER AG (DE) 1997-02-19 EP disclosed