SCHEMBL4445795

SCHEMBL4445795

Cc1ccc(S(=O)(=O)OC(CC(=O)OCCC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)C(=O)OCCC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)cc1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA2 P00918 3/20 0.34
CA1 P00915 2/20 0.34
KMT2A Q03164 5/20 0.33
ALDH1A1 P00352 5/20 0.33
MAPT P10636 3/20 0.33
L3MBTL1 Q9Y468 1/20 0.31
LMNA P02545 2/20 0.31
NPSR1 Q6W5P4 3/20 0.31
TP53 P04637 3/20 0.31
HPGD P15428 2/20 0.31
MAPK1 P28482 2/20 0.31
BCL2A1 Q16548 2/20 0.31
HSD17B10 Q99714 2/20 0.31
TLR9 Q9NR96 2/20 0.31
RAB9A P51151 1/20 0.31
HTT P42858 2/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
KDM4E B2RXH2 1/20 0.31
ALOX15 P16050 1/20 0.31
BID P55957 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
SCHEMBL28614839 0.78
SCHEMBL9893501 0.76 CYP1A2 (0.43) CA2CA1KMT2AALDH1A1MAPT
SCHEMBL5369470 0.76 CA1 (0.39) CA2CA1KMT2AALDH1A1LMNA
SCHEMBL5365715 0.76 CA1 (0.39) CA2CA1KMT2AALDH1A1LMNA
SCHEMBL3343193 0.74 ALDH1A1 (0.39) CA2CA1KMT2AALDH1A1LMNA
SCHEMBL6473133 0.73 CYP1A2 (0.37) CA2CA1KMT2AALDH1A1LMNA
SCHEMBL6473684 0.73 CYP1A2 (0.37) CA2CA1KMT2AALDH1A1LMNA
SCHEMBL13894711 0.73 ALDH1A1 (0.35) CA2CA1KMT2AALDH1A1MAPT
SCHEMBL4445799 0.73 ALDH1A1 (0.35) CA2CA1KMT2AALDH1A1MAPT
SCHEMBL4445793 0.73 ALDH1A1 (0.35) CA2CA1KMT2AALDH1A1MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2009055628-A1 PROCESS AND MATERIALS FOR MAKING CONTAINED LAYERS AND DEVICES MADE WITH SAME E. I. DU PONT DE NEMOURS AND COMPANY (US) 2009-04-30 WO claimed
WO-2009055628-A1 PROCESS AND MATERIALS FOR MAKING CONTAINED LAYERS AND DEVICES MADE WITH SAME E. I. DU PONT DE NEMOURS AND COMPANY (US) 2009-04-30 WO disclosed