SCHEMBL6263282

SCHEMBL6263282

CCCCCCCCCCCCCCSCC(=O)NCC(C)O

nearest known ligand 0.51

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
CES2 O00748 3/20 0.51
GMNN O75496 1/20 0.51
TP53 P04637 1/20 0.51
POLB P06746 1/20 0.51
MAPT P10636 1/20 0.51
THRB P10828 1/20 0.51
CYP2C9 P11712 1/20 0.51
BLM P54132 1/20 0.51
HSD17B10 Q99714 1/20 0.51
FAAH O00519 6/20 0.46
CES1 P23141 5/20 0.46
PLA2G6 O60733 1/20 0.46
EPHX1 P07099 2/20 0.40
MEN1 O00255 1/20 0.39
MAPK1 P28482 1/20 0.39
KMT2A Q03164 1/20 0.39
ASAH1 Q13510 1/20 0.38
SMPD1 P17405 1/20 0.37

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
SCHEMBL5407492 0.89 CES2 (0.53) CES2GMNNTP53POLBMAPT
SCHEMBL5404434 0.84 CES2 (0.49) CES2GMNNTP53POLBMAPT
SCHEMBL6269037 0.83 CES2 (0.47) CES2GMNNTP53POLBMAPT
SCHEMBL5421564 0.81 CES2 (0.49) CES2GMNNTP53POLBMAPT
SCHEMBL10766442 0.81 CES2 (0.60) CES2GMNNTP53POLBMAPT
SCHEMBL6266157 0.81 CES2 (0.45) CES2GMNNTP53POLBMAPT
SCHEMBL15341568 0.80 CES2 (0.58) CES2GMNNTP53POLBMAPT
SCHEMBL5410821 0.79 CES2 (0.46) CES2GMNNTP53POLBMAPT
SCHEMBL5406289 0.79 CES2 (0.46) CES2GMNNTP53POLBMAPT
SCHEMBL6262724 0.79 GMNN (0.50) CES2GMNNTP53POLBMAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1592660-A1 ACYLATED AMINOPROPANEDIOLS AND ANALOGUES AND THERAPEUTIC USES THEREOF Genfit (FR) 2005-11-09 EP claimed
WO-2004074239-A1 ACYLATED AMINOPROPANEDIOLS AND ANALOGUES AND THERAPEUTIC USES THEREOF GENFIT (FR) 2004-09-02 WO claimed
EP-1596845-A1 THERAPEUTIC USE OF ACYL GLYCEROLS AND THE NITROGEN- AND SULPHUR-CONTAINING ANALOGUES THEROF Genfit (FR) 2005-11-23 EP disclosed
WO-2004073698-A1 THERAPEUTIC USE OF ACYL GLYCEROLS AND THE NITROGEN- AND SULPHUR-CONTAINING ANALOGUES THEROF GENFIT (FR) 2004-09-02 WO disclosed