SCHEMBL9943476

SCHEMBL9943476

O=C(O)CSCCCCC(F)(F)C(F)(F)F

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GMNN O75496 1/20 0.50
TP53 P04637 1/20 0.50
POLB P06746 1/20 0.50
MAPT P10636 1/20 0.50
THRB P10828 1/20 0.50
CYP2C9 P11712 1/20 0.50
BLM P54132 1/20 0.50
HSD17B10 Q99714 1/20 0.50
CYP2D6 P10635 2/20 0.41
HIF1A Q16665 1/20 0.41
CES1 P23141 6/20 0.41
FAAH O00519 4/20 0.41
CES2 O00748 3/20 0.41
PLA2G6 O60733 1/20 0.41
BHMT Q93088 1/20 0.34
HDAC1 Q13547 1/20 0.33
HDAC2 Q92769 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.32
MMP12 P39900 1/20 0.32
MMP13 P45452 1/20 0.32

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
SCHEMBL9943872 0.98 GMNN (0.53) GMNNTP53POLBMAPTTHRB
SCHEMBL5077831 0.94 GMNN (0.47) GMNNTP53POLBMAPTTHRB
SCHEMBL9943893 0.89 GMNN (0.47) GMNNTP53POLBMAPTTHRB
SCHEMBL9943488 0.86 CYP2D6 (0.46) GMNNTP53POLBMAPTTHRB
SCHEMBL9943715 0.84 GMNN (0.53) GMNNTP53POLBMAPTTHRB
SCHEMBL9943837 0.83 GMNN (0.44) GMNNTP53POLBMAPTTHRB
SCHEMBL9943765 0.82 GMNN (0.57) GMNNTP53POLBMAPTTHRB
SCHEMBL9943764 0.82 GMNN (0.57) GMNNTP53POLBMAPTTHRB
SCHEMBL9943886 0.81 THRB (0.43) GMNNTP53POLBMAPTTHRB
SCHEMBL9943848 0.81 GMNN (0.55) GMNNTP53POLBMAPTTHRB

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-2664613-A1 Process for producing amide compounds Sumitomo Chemical Company, Limited (JP) 2013-11-20 EP disclosed
EP-2662355-A1 Process for producing a (fluoroalkylthio) acetonitrile Sumitomo Chemical Company, Limited (JP) 2013-11-13 EP disclosed
EP-2465846-A1 PROCESS FOR PREPARATION OF (FLUOROALKYLTHIO)ACETIC ACID ESTERS Sumitomo Chemical Company, Limited (JP) 2012-06-20 EP disclosed