SCHEMBL5331347

SCHEMBL5331347

CCCCSCC(OC(=O)C(CO)C(=O)O)C(=O)O

nearest known ligand 0.35

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MAPT P10636 2/20 0.34
GMNN O75496 1/20 0.34
TP53 P04637 1/20 0.34
POLB P06746 1/20 0.34
THRB P10828 1/20 0.34
CYP2C9 P11712 1/20 0.34
BLM P54132 1/20 0.34
HSD17B10 Q99714 1/20 0.34
TLR2 O60603 1/20 0.33
CES1 P23141 1/20 0.33
MAPK1 P28482 1/20 0.32
PRKCA P17252 3/20 0.31
PRKCE Q02156 1/20 0.31
PRKCQ Q04759 1/20 0.31
PRKCD Q05655 1/20 0.31
CES2 O00748 1/20 0.31
NOS2 P35228 1/20 0.31

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
SCHEMBL5328136 0.91 METAP2 (0.33)
SCHEMBL5325063 0.87 MAPT (0.33) MAPTGMNNTP53POLBTHRB
SCHEMBL5328473 0.84 OR51E2 (0.30)
SCHEMBL4951686 0.83 MAPT (0.35) MAPTGMNNTP53POLBTHRB
SCHEMBL4952141 0.83 GMNN (0.35) MAPTGMNNTP53POLBTHRB
SCHEMBL4954139 0.81 MAPT (0.36) MAPTGMNNTP53POLBTHRB
SCHEMBL4951744 0.81 CES2 (0.38) MAPTGMNNTP53POLBTHRB
SCHEMBL4951868 0.80 MAPT (0.37) MAPTGMNNTP53POLBTHRB
SCHEMBL5329279 0.79 RNPEP (0.31)
SCHEMBL4954119 0.78 LMNA (0.39) MAPTGMNNTP53POLBTHRB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2007147155-A1 POLYOL ESTER COMPOUNDS NOVUS INTERNATIONAL INC. (US) 2007-12-21 WO disclosed