SCHEMBL5486128

SCHEMBL5486128

CCC(COc1ccccc1C=O)OCC1COC(C)(C)O1

nearest known ligand 0.38

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.38
HPGD P15428 1/20 0.38
HTT P42858 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
IGF1R P08069 1/20 0.36
HTR1A P08908 6/20 0.36
ADRA1D P25100 6/20 0.36
ADRA1A P35348 6/20 0.36
ADRA1B P35368 6/20 0.36
CA2 P00918 1/20 0.35
PTGDR2 Q9Y5Y4 1/20 0.34
MAPK14 Q16539 4/20 0.34
KMT2A Q03164 1/20 0.33
TDP1 Q9NUW8 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33

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
SCHEMBL4790647 0.84 ALDH1A1 (0.47) ALDH1A1HPGDHTTSMN1; SMN2HTR1A
SCHEMBL5307075 0.84 ALDH1A1 (0.47) ALDH1A1HPGDHTTSMN1; SMN2HTR1A
SCHEMBL5307972 0.84 ALDH1A1 (0.47) ALDH1A1HPGDHTTSMN1; SMN2HTR1A
SCHEMBL1133830 0.79 ALDH1A1 (0.50) ALDH1A1HPGDHTTSMN1; SMN2HTR1A
SCHEMBL27969814 0.73 ALDH1A1 (0.51) ALDH1A1HPGDHTTSMN1; SMN2HTR1A
SCHEMBL15077477 0.70 ALDH1A1 (0.38) ALDH1A1HPGDHTTSMN1; SMN2HTR1A
SCHEMBL5448429 0.68 CA2 (0.36) ALDH1A1HPGDHTR1AADRA1DADRA1A
SCHEMBL5450391 0.68 CA2 (0.36) ALDH1A1HPGDHTR1AADRA1DADRA1A
SCHEMBL5446871 0.68 CA2 (0.36) ALDH1A1HPGDHTR1AADRA1DADRA1A
SCHEMBL4977214 0.68 TLR2 (0.43) ALDH1A1HTR1AADRA1DADRA1AADRA1B

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
JP-2007506661-A 2007-03-22 JP claimed
EP-1638540-A2 PYRAZOLIDINEDIONE DERIVATIVES AND THEIR USE AS PLATELET AGGREGATION INHIBITORS Actelion Pharmaceuticals Ltd. (CH) 2006-03-29 EP claimed
WO-2005000281-A2 PYRAZOLIDINEDIONE DERIVATIVES AND THEIR USE AS PLATELET AGGREGATION INHIBITORS ACTELION PHARMACEUTICALS LTD. (CH) 2005-01-06 WO claimed