SCHEMBL6263742

SCHEMBL6263742

CCCCCCCCCCCCCCSCC(=O)SC(CN)CN

nearest known ligand 0.55

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
CES2 O00748 3/20 0.55
GMNN O75496 1/20 0.55
TP53 P04637 1/20 0.55
POLB P06746 1/20 0.55
MAPT P10636 1/20 0.55
THRB P10828 1/20 0.55
CYP2C9 P11712 1/20 0.55
BLM P54132 1/20 0.55
HSD17B10 Q99714 1/20 0.55
CES1 P23141 5/20 0.49
FAAH O00519 4/20 0.49
PLA2G6 O60733 1/20 0.49
EPHX1 P07099 1/20 0.42
CA2 P00918 1/20 0.41
DNM1 Q05193 1/20 0.37
PLA2G4B P0C869 1/20 0.35

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
Hydrochloric Acid SCHEMBL5400871 0.98 CES2 (0.53) CES2GMNNTP53POLBMAPT
SCHEMBL6266086 0.89 CES2 (0.47) CES2GMNNTP53POLBMAPT
Hydrochloric Acid SCHEMBL5403361 0.88 CES2 (0.46) CES2GMNNTP53POLBMAPT
SCHEMBL5944377 0.78 CES2 (0.49) CES2GMNNTP53POLBMAPT
SCHEMBL5421564 0.78 CES2 (0.49) CES2GMNNTP53POLBMAPT
SCHEMBL14182500 0.75 CES2 (0.69) CES2GMNNTP53POLBMAPT
SCHEMBL10772520 0.75 CES2 (0.69) CES2GMNNTP53POLBMAPT
SCHEMBL21494396 0.75 CES2 (0.69) CES2GMNNTP53POLBMAPT
SCHEMBL7747953 0.75 CES2 (0.69) CES2GMNNTP53POLBMAPT
SCHEMBL2871607 0.75 CES2 (0.69) 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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1596845-A1 THERAPEUTIC USE OF ACYL GLYCEROLS AND THE NITROGEN- AND SULPHUR-CONTAINING ANALOGUES THEROF Genfit (FR) 2005-11-23 EP disclosed
EP-1594486-A2 USES OF ACYLATED AMINOPROPANEDIOLS AND SULPHUR AND NITROGEN ANALOGUES OF SAME Genfit (FR) 2005-11-16 EP disclosed
EP-1592660-A1 ACYLATED AMINOPROPANEDIOLS AND ANALOGUES AND THERAPEUTIC USES THEREOF Genfit (FR) 2005-11-09 EP disclosed
WO-2004073593-A2 USE OF ACYLATED AMINOPROPANEDIOLS AND SULPHUR AND NITROGEN ANALOGUES OF SAME FOR DIFFERENT THERAPEUTIC APPLICATIONS GENFIT (FR) 2004-09-02 WO disclosed
WO-2004073698-A1 THERAPEUTIC USE OF ACYL GLYCEROLS AND THE NITROGEN- AND SULPHUR-CONTAINING ANALOGUES THEROF GENFIT (FR) 2004-09-02 WO disclosed
WO-2004074239-A1 ACYLATED AMINOPROPANEDIOLS AND ANALOGUES AND THERAPEUTIC USES THEREOF GENFIT (FR) 2004-09-02 WO disclosed