SCHEMBL25819325

SCHEMBL25819325

O=S(=O)(O)c1cc2c(O)c(c1)Cc1cc(S(=O)(=O)O)cc(c1O)Cc1cccc(c1O)Cc1cccc(c1O)C2

nearest known ligand 0.81

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ING2 Q9H160 3/20 0.81
▸ DUSP5 Q16690 1/20 0.53
▸ DUSP6 Q16828 1/20 0.53
▸ TSHR P16473 3/20 0.41
▸ ALDH1A1 P00352 3/20 0.41
▸ HSD17B10 Q99714 3/20 0.41
▸ TDP1 Q9NUW8 2/20 0.41
▸ L3MBTL1 Q9Y468 2/20 0.41
▸ MEN1 O00255 1/20 0.41
▸ USP2 O75604 1/20 0.41
▸ HPN P05981 1/20 0.41
▸ CYP3A4 P08684 1/20 0.41
▸ ALOX5 P09917 1/20 0.41
▸ MAPT P10636 1/20 0.41
▸ THRB P10828 1/20 0.41
▸ ALOX15 P16050 1/20 0.41
▸ PTGS1 P23219 1/20 0.41
▸ PDE4A P27815 1/20 0.41
▸ KDR P35968 1/20 0.41
▸ KMT2A Q03164 1/20 0.41

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
SCHEMBL19762894 0.92 ING2 (0.68) ING2DUSP5DUSP6TSHRALDH1A1
SCHEMBL29776588 0.90 ING2 (1.00) ING2DUSP5DUSP6TSHRALDH1A1
SCHEMBL15397115 0.90 ING2 (1.00) ING2DUSP5DUSP6TSHRALDH1A1
SCHEMBL29664959 0.90 ING2 (1.00) ING2DUSP5DUSP6TSHRALDH1A1
SCHEMBL29486958 0.90 ING2 (1.00) ING2DUSP5DUSP6TSHRALDH1A1
SCHEMBL29486957 0.90 ING2 (1.00) ING2DUSP5DUSP6TSHRALDH1A1
SCHEMBL19203101 0.90 ING2 (1.00) ING2DUSP5DUSP6TSHRALDH1A1
SCHEMBL15397119 0.90 ING2 (1.00) ING2DUSP5DUSP6TSHRALDH1A1
Water SCHEMBL31084794 0.88 ING2 (0.95) ING2DUSP5DUSP6TSHRALDH1A1
Water SCHEMBL30366794 0.88 ING2 (0.95) ING2DUSP5DUSP6TSHRALDH1A1

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
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