SCHEMBL25819270

SCHEMBL25819270

Cc1ccc(-c2ccc(-c3cc4c(O)c(c3)Cc3cc(S(=O)(=O)O)cc(c3OCC(=O)O)Cc3cc(C)cc(c3O)Cc3cccc(c3OCC(=O)O)C4)cc2)cc1

nearest known ligand 0.49

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
CD69 Q07108 3/20 0.49
ING2 Q9H160 3/20 0.41
ELANE P08246 1/20 0.40
GSTA1 P08263 6/20 0.39
GSTP1 P09211 6/20 0.39
CSNK2A2 P19784 1/20 0.36
CSNK2B P67870 1/20 0.36
CSNK2A1 P68400 1/20 0.36
KDM4E B2RXH2 1/20 0.36
ALDH1A1 P00352 1/20 0.36
PTPRC P08575 4/20 0.35
PTPN2 P17706 4/20 0.35
PTPN1 P18031 4/20 0.35
PTPRB P23467 4/20 0.35
PTPN11 Q06124 4/20 0.35
LTB4R Q15722 1/20 0.34

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
SCHEMBL18538277 0.92 ING2 (0.45) CD69ING2ELANEGSTA1GSTP1
SCHEMBL25819263 0.91 CD69 (0.54) CD69ING2ELANEGSTA1GSTP1
SCHEMBL18538276 0.87 ING2 (0.54) CD69ING2ELANEGSTA1GSTP1
SCHEMBL18538318 0.87 ING2 (0.54) CD69ING2ELANEGSTA1GSTP1
SCHEMBL25819200 0.85 GSTA1 (0.51) ING2GSTA1GSTP1PTPRCPTPN2
SCHEMBL18538268 0.83 CD69 (0.52) CD69ELANEGSTA1GSTP1KDM4E
SCHEMBL18538272 0.83 CD69 (0.52) CD69ELANEGSTA1GSTP1KDM4E
SCHEMBL18538275 0.83 CD69 (0.52) CD69ELANEGSTA1GSTP1KDM4E
SCHEMBL18538287 0.83 PTGDR (0.42) CD69ING2ELANEKDM4EALDH1A1
SCHEMBL18538312 0.82 ING2 (0.62) ING2

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