SCHEMBL6664594

SCHEMBL6664594

O=C(O)CC(=O)CSCCCCCCSCC(=O)CC(=O)O

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSD17B10 Q99714 2/20 0.59
GMNN O75496 1/20 0.59
TP53 P04637 1/20 0.59
POLB P06746 1/20 0.59
MAPT P10636 1/20 0.59
THRB P10828 1/20 0.59
CYP2C9 P11712 1/20 0.59
BLM P54132 1/20 0.59
CES2 O00748 3/20 0.48
CES1 P23141 5/20 0.42
FAAH O00519 4/20 0.42
PLA2G6 O60733 1/20 0.42
PLA2G4B P0C869 6/20 0.41
CYP2D6 P10635 1/20 0.38
HIF1A Q16665 1/20 0.38
TSHR P16473 1/20 0.37
LDHA P00338 1/20 0.36
SRR Q9GZT4 1/20 0.36
BHMT Q93088 2/20 0.36
LMNA P02545 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
SCHEMBL5597990 0.79 HSD17B10 (0.77) HSD17B10GMNNTP53POLBMAPT
SCHEMBL6231607 0.79 HSD17B10 (0.77) HSD17B10GMNNTP53POLBMAPT
SCHEMBL2807324 0.79 HSD17B10 (0.77) HSD17B10GMNNTP53POLBMAPT
SCHEMBL22921976 0.77 HSD17B10 (0.74) HSD17B10GMNNTP53POLBMAPT
SCHEMBL1323505 0.77 CYP2D6 (0.67) HSD17B10GMNNTP53POLBMAPT
SCHEMBL8666564 0.76 HSD17B10 (0.73) HSD17B10GMNNTP53POLBMAPT
SCHEMBL6666970 0.76 CES2 (0.48) HSD17B10GMNNTP53POLBMAPT
SCHEMBL4649866 0.74 HSD17B10 (1.00) HSD17B10GMNNTP53POLBMAPT
SCHEMBL1405316 0.74 HSD17B10 (1.00) HSD17B10GMNNTP53POLBMAPT
SCHEMBL22921996 0.74 MAPT (0.63) HSD17B10GMNNTP53POLBMAPT

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
EP-0970137-B9 COATING, ADHESIVE AND SEALANT COMPOSITIONS INT COATINGS LTD (GB) 2004-09-15 EP disclosed
US-6521716-B1 Coating, adhesive and sealant compositions AKZO NOBEL N.V. (NL) 2003-02-18 US disclosed
EP-0970137-B1 COATING, ADHESIVE AND SEALANT COMPOSITIONS INT COATINGS LTD (GB) 2002-06-12 EP disclosed