SCHEMBL25819263

SCHEMBL25819263

O=C(O)COc1c2cccc1Cc1cc(-c3ccc(-c4ccccc4)cc3)cc(c1O)Cc1cc(S(=O)(=O)O)cc(c1OCC(=O)O)Cc1cc(-c3ccc(-c4ccccc4)cc3)cc(c1O)C2

nearest known ligand 0.54

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CD69 Q07108 3/20 0.54
ING2 Q9H160 3/20 0.46
PTPN1 P18031 4/20 0.41
ELANE P08246 1/20 0.41
GSTA1 P08263 5/20 0.40
GSTP1 P09211 5/20 0.40
PTPN2 P17706 1/20 0.38
PTPN6 P29350 1/20 0.38
MMP1 P03956 1/20 0.37
GAA P10253 1/20 0.37
MMP12 P39900 1/20 0.37
PPARG P37231 1/20 0.37
PPARD Q03181 1/20 0.37
PTGDR2 Q9Y5Y4 1/20 0.37
ACLY P53396 1/20 0.36

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
SCHEMBL25819270 0.91 CD69 (0.49) CD69ING2PTPN1ELANEGSTA1
SCHEMBL18538277 0.90 ING2 (0.45) CD69ING2PTPN1ELANEGSTA1
SCHEMBL25819329 0.84 GSTA1 (0.53) CD69ING2PTPN1GSTA1GSTP1
SCHEMBL18538272 0.80 CD69 (0.52) CD69PTPN1ELANEGSTA1GSTP1
SCHEMBL18538275 0.80 CD69 (0.52) CD69PTPN1ELANEGSTA1GSTP1
SCHEMBL18538268 0.80 CD69 (0.52) CD69PTPN1ELANEGSTA1GSTP1
SCHEMBL18538318 0.80 ING2 (0.54) CD69ING2ELANEGSTA1GSTP1
SCHEMBL18538276 0.80 ING2 (0.54) CD69ING2ELANEGSTA1GSTP1
SCHEMBL18538289 0.78 ING2 (0.41) ING2GSTA1GSTP1ACLY
SCHEMBL18538287 0.77 PTGDR (0.42) CD69ING2PTPN1ELANE

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
US-20230220158-A1 IONOMERS WITH MACROCYCLIC MOIETIES FOR ION CONDUCTIVITY AND PERMSELECTIVITY NATIONAL SCIENCE FOUNDATION 2023-07-13 US disclosed