SCHEMBL9943803

SCHEMBL9943803

O=C(O)CSCCC(F)F

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BHMT Q93088 4/20 0.53
CYP2D6 P10635 2/20 0.50
HIF1A Q16665 1/20 0.50
HSD17B10 Q99714 2/20 0.43
GMNN O75496 1/20 0.43
TP53 P04637 1/20 0.43
POLB P06746 1/20 0.43
MAPT P10636 1/20 0.43
THRB P10828 1/20 0.43
CYP2C9 P11712 1/20 0.43
BLM P54132 1/20 0.43
CYP2C19 P33261 1/20 0.38
MMP12 P39900 1/20 0.36
MMP13 P45452 1/20 0.36
MVD P53602 1/20 0.36
LMNA P02545 1/20 0.35
KMT2A Q03164 1/20 0.35
TDP1 Q9NUW8 1/20 0.35
ALDH1A1 P00352 2/20 0.33
TSHR P16473 1/20 0.33

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
SCHEMBL9943888 0.85 GMNN (0.53) BHMTCYP2D6HIF1AHSD17B10GMNN
SCHEMBL9943910 0.83 MAPT (0.57) BHMTCYP2D6HIF1AHSD17B10GMNN
SCHEMBL9943712 0.83 MAPT (0.57) BHMTCYP2D6HIF1AHSD17B10GMNN
SCHEMBL2136202 0.81 BHMT (0.39) BHMTKMT2A
SCHEMBL1405521 0.76 BHMT (0.53) BHMTCYP2D6HIF1AHSD17B10GMNN
SCHEMBL1313188 0.76 CYP2D6 (0.73) BHMTCYP2D6HIF1AHSD17B10GMNN
SCHEMBL9943860 0.74 GMNN (0.52) BHMTCYP2D6HIF1AHSD17B10GMNN
Ammonia Solution, Strong SCHEMBL10936270 0.73 CYP2D6 (0.69) BHMTCYP2D6HIF1AHSD17B10GMNN
SCHEMBL8667121 0.73 CYP2D6 (0.69) BHMTCYP2D6HIF1AHSD17B10GMNN
SCHEMBL10707714 0.73 CYP2D6 (0.69) BHMTCYP2D6HIF1AHSD17B10GMNN

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