SCHEMBL6415561

SCHEMBL6415561

O=C(OOF)C1CCCCC1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CES2 O00748 1/20 0.46
CES1 P23141 1/20 0.46
SMN1; SMN2 Q16637 2/20 0.40
HDAC8 Q9BY41 1/20 0.39
HDAC6 Q9UBN7 1/20 0.39
KMT2A Q03164 2/20 0.39
HTT P42858 1/20 0.39
TDP1 Q9NUW8 1/20 0.39
ALDH1A1 P00352 2/20 0.38
TSHR P16473 2/20 0.38
POLB P06746 2/20 0.37
CHRM2 P08172 2/20 0.37
CHRM4 P08173 2/20 0.37
CHRM1 P11229 2/20 0.37
CHRM3 P20309 2/20 0.37
ELANE P08246 1/20 0.36
MAPK1 P28482 1/20 0.35
ESR1 P03372 1/20 0.35
ESR2 Q92731 1/20 0.35
MIF P14174 1/20 0.35

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
SCHEMBL2198986 0.87 CES2 (0.58) CES2CES1SMN1; SMN2HDAC8HDAC6
SCHEMBL2202711 0.84 CES2 (0.53) CES2CES1SMN1; SMN2HDAC8HDAC6
SCHEMBL573198 0.80 CES2 (0.50) CES2CES1SMN1; SMN2HDAC8HDAC6
SCHEMBL2201861 0.79 SMN1; SMN2 (0.54) CES2CES1SMN1; SMN2HDAC8HDAC6
SCHEMBL2031589 0.77
SCHEMBL28675379 0.76 CES2 (0.46) CES2CES1SMN1; SMN2HDAC8HDAC6
SCHEMBL28844071 0.76 SMN1; SMN2 (0.48) CES2CES1SMN1; SMN2HDAC8HDAC6
SCHEMBL6939791 0.74 CES2 (0.55) CES2CES1SMN1; SMN2HDAC8HDAC6
SCHEMBL248821 0.74 CES2 (0.55) CES2CES1SMN1; SMN2HDAC8HDAC6
SCHEMBL776566 0.74 CES2 (0.55) CES2CES1SMN1; SMN2HDAC8HDAC6

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
EP-1538168-A1 METHOD OF OBTAINING PERFLUOROSULPHONATE POLYMERS CONTAINING SULPHONYL FUNCTIONAL GROUPS DAVID FUEL CELL COMPONENTS, S.L. (ES) 2005-06-08 EP claimed
EP-1538168-A1 METHOD OF OBTAINING PERFLUOROSULPHONATE POLYMERS CONTAINING SULPHONYL FUNCTIONAL GROUPS DAVID FUEL CELL COMPONENTS, S.L. (ES) 2005-06-08 EP disclosed