SCHEMBL8901308

SCHEMBL8901308

COCCOc1ccc(C(N)=O)cc1C(=O)O

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 1/20 0.49
PTPN11 Q06124 2/20 0.48
PDE4A P27815 1/20 0.43
PDE4B Q07343 1/20 0.43
PDE4C Q08493 1/20 0.43
PDE4D Q08499 1/20 0.43
KMT2A Q03164 2/20 0.43
HTT P42858 2/20 0.43
KDM4E B2RXH2 2/20 0.43
ALDH1A1 P00352 3/20 0.43
PTK2B Q14289 1/20 0.43
PARP10 Q53GL7 1/20 0.43
CHEK2 O96017 1/20 0.43
CA12 O43570 1/20 0.42
CA1 P00915 1/20 0.42
CA2 P00918 1/20 0.42
CA4 P22748 1/20 0.42
CA6 P23280 1/20 0.42
CA7 P43166 1/20 0.42
TPMT P51580 1/20 0.42

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
SCHEMBL1505079 0.87 AKR1C3 (0.52) PTPN11
SCHEMBL6941556 0.82 MAPK1 (0.72) MAPK1PDE4APDE4BPDE4CPDE4D
SCHEMBL6043409 0.81 MAPK1 (0.48) MAPK1PTPN11PDE4APDE4BPDE4C
SCHEMBL1353135 0.81 CA1 (0.59) MAPK1HTTKDM4EALDH1A1PARP10
SCHEMBL30151541 0.81 MAPK1 (0.50) MAPK1PDE4APDE4BPDE4CPDE4D
SCHEMBL1505305 0.80 PTGDR2 (0.55) PTPN11KMT2AKDM4EALDH1A1PTK2B
SCHEMBL1505121 0.80 KDM4E (0.52) PTPN11KMT2AHTTKDM4EALDH1A1
SCHEMBL7089733 0.80 PTPN11 (0.49) MAPK1PTPN11KMT2AKDM4ES1PR3
SCHEMBL18300979 0.79 TSHR (0.49) PTPN11KMT2AHTTKDM4EALDH1A1
SCHEMBL9448372 0.79 MAPK1 (0.51) MAPK1KMT2AHTTKDM4EALDH1A1

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-0663391-B1 Sulphuric acid esters of sugar alcohols for the treatment of arteriosclerotic changes in the vascular walls HOFFMANN LA ROCHE (CH) 1997-04-09 EP disclosed
EP-0663391-A1 Sulphuric acid esters of sugar alcohols for the treatment of arteriosclerotic changes in the vascular walls F. HOFFMANN-LA ROCHE AG (CH) 1995-07-19 EP disclosed