SCHEMBL6449202

SCHEMBL6449202

CC(=O)Oc1c(C)c(C)c(O)c(C/C=C(\C)CCC[C@H](C)CCCC(C)CCCC(C)C)c1C

nearest known ligand 0.54

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
PTPN1 P18031 3/20 0.54
PDE4A P27815 2/20 0.45
PDE3A Q14432 2/20 0.45
PTGS1 P23219 1/20 0.45
SNCA P37840 1/20 0.45
IMPDH2 P12268 6/20 0.45
PSEN1 P49768 2/20 0.44
MEN1 O00255 1/20 0.43
KMT2A Q03164 1/20 0.43
PTPN2 P17706 1/20 0.43
CDC25B P30305 1/20 0.43

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
SCHEMBL5566870 1.00 PTPN1 (0.54) PTPN1PDE4APDE3APTGS1SNCA
SCHEMBL13271762 1.00 PTPN1 (0.54) PTPN1PDE4APDE3APTGS1SNCA
SCHEMBL3144740 1.00 PTPN1 (0.54) PTPN1PDE4APDE3APTGS1SNCA
SCHEMBL5561100 1.00 PTPN1 (0.54) PTPN1PDE4APDE3APTGS1SNCA
SCHEMBL5562750 0.85 PTPN1 (0.46) PTPN1PDE4APDE3APTGS1SNCA
SCHEMBL3132944 0.85 PTPN1 (0.46) PTPN1PDE4APDE3APTGS1SNCA
SCHEMBL3132937 0.85 PTPN1 (0.46) PTPN1PDE4APDE3APTGS1SNCA
SCHEMBL27660726 0.84 PTPN1 (0.55) PTPN1PDE4APDE3APTGS1SNCA
SCHEMBL2138789 0.84 PTPN1 (0.55) PTPN1PDE4APDE3APTGS1SNCA
SCHEMBL13597513 0.84 PTPN1 (0.55) PTPN1PDE4APDE3APTGS1SNCA

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-1562929-A1 MANUFACTURE OF TOCOPHERYL ACETATE DSM IP Assets B.V. (NL) 2005-08-17 EP disclosed
WO-2004046126-A1 MANUFACTURE OF TOCOPHERYL ACETATE DSM IP ASSETS B.V. (NL) 2004-06-03 WO disclosed