SCHEMBL10187798

SCHEMBL10187798

CC(C)Oc1cccc(S(=O)(=O)c2ccc(OCCOc3ccc(S(=O)(=O)c4ccc(O)cc4)cc3)cc2)c1

nearest known ligand 0.48

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
NAMPT P43490 5/20 0.48
KAT6A Q92794 3/20 0.46
GAA P10253 2/20 0.46
PKM P14618 1/20 0.46
ELANE P08246 1/20 0.44
ALDH1A1 P00352 3/20 0.43
KDM4E B2RXH2 1/20 0.43
NSD2 O96028 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
F2 P00734 1/20 0.43
HTR6 P50406 1/20 0.42
MTNR1B P49286 1/20 0.42
CA2 P00918 1/20 0.41
L3MBTL1 Q9Y468 2/20 0.40
LMNA P02545 1/20 0.40
KMT2A Q03164 1/20 0.40
NPSR1 Q6W5P4 1/20 0.40

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
SCHEMBL537032 0.88 GAA (0.54) NAMPTGAAPKMELANEALDH1A1
SCHEMBL536828 0.84 GAA (0.53) NAMPTGAAPKMELANEALDH1A1
SCHEMBL536872 0.84 GAA (0.53) NAMPTGAAPKMELANEALDH1A1
SCHEMBL536903 0.83 GAA (0.51) GAAPKMELANEALDH1A1KDM4E
SCHEMBL537247 0.83 GAA (0.51) GAAPKMELANEALDH1A1KDM4E
SCHEMBL536962 0.83 GAA (0.51) GAAPKMELANEALDH1A1KDM4E
SCHEMBL537261 0.83 GAA (0.51) GAAPKMELANEALDH1A1KDM4E
SCHEMBL30485903 0.81 GAA (0.49) NAMPTGAAPKMELANEALDH1A1
SCHEMBL10894645 0.79 PKM (0.56) GAAPKMELANEALDH1A1SMN1; SMN2
SCHEMBL26268 0.79 PKM (0.65) NAMPTGAAPKMELANEKMT2A

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
EP-2474963-A1 HEAT-SENSITIVE RECORDING LABEL Nippon Paper Industries Co., Ltd. (JP) 2012-07-11 EP disclosed