SCHEMBL7646477

SCHEMBL7646477

C=C(C)C(=O)OCCSCCCCCC

nearest known ligand 0.69

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 3/20 0.69
CES2 O00748 4/20 0.49
THRB P10828 2/20 0.47
POLB P06746 2/20 0.44
GMNN O75496 1/20 0.44
TP53 P04637 1/20 0.44
MAPT P10636 1/20 0.44
CYP2C9 P11712 1/20 0.44
BLM P54132 1/20 0.44
HSD17B10 Q99714 1/20 0.44
ACHE P22303 3/20 0.42
FAAH O00519 4/20 0.40
CES1 P23141 4/20 0.40
PLA2G6 O60733 1/20 0.40
PLA2G4B P0C869 1/20 0.39
APEX1 P27695 1/20 0.39
HTT P42858 1/20 0.39
TDP1 Q9NUW8 1/20 0.39
NAAA Q02083 1/20 0.38
DGKA P23743 1/20 0.38

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
SCHEMBL491146 1.00 TSHR (0.69) TSHRCES2THRBPOLBGMNN
SCHEMBL11420004 1.00 TSHR (0.69) TSHRCES2THRBPOLBGMNN
SCHEMBL11420243 0.93 TSHR (0.62) TSHRCES2THRBPOLBGMNN
SCHEMBL10427136 0.91 TSHR (0.53) TSHRCES2THRBPOLBGMNN
SCHEMBL10427163 0.88 TSHR (0.53) TSHRCES2THRBPOLBAPEX1
SCHEMBL10150598 0.86 TSHR (0.56) TSHRTHRBPOLBACHEAPEX1
SCHEMBL10340003 0.86 CES2 (0.48) TSHRCES2THRBPOLBGMNN
SCHEMBL212008 0.86 THRB (0.55) TSHRTHRBPOLBAPEX1HTT
SCHEMBL28121972 0.85 TSHR (0.51) TSHRCES2THRBPOLBAPEX1
SCHEMBL14993242 0.84 TSHR (0.63) TSHRCES2THRBPOLBGMNN

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-2002100911-A1 RESIN COMPOSITIONS, AND OPTICAL LENS PREPARED THEREBY DOOSAN CORPORATION ELECTRO-MATERIALS BG (KR) 2002-12-19 WO disclosed