SCHEMBL18538308

SCHEMBL18538308

Cc1cc2c(O)c(c1)Cc1cc(CCc3ccccc3)cc(c1O)Cc1cc(S(=O)(=O)O)cc(c1O)Cc1cc(CCc3ccccc3)cc(c1O)C2

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ING2 Q9H160 3/20 0.55
▸ PTPN2 P17706 1/20 0.44
▸ PTPN1 P18031 1/20 0.44
▸ PTPN4 P29074 1/20 0.44
▸ PTPN9 P43378 1/20 0.44
▸ PTPN11 Q06124 1/20 0.44
▸ L3MBTL1 Q9Y468 1/20 0.40
▸ DUSP5 Q16690 1/20 0.39
▸ DUSP6 Q16828 1/20 0.39
▸ ALOX5 P09917 2/20 0.37
▸ EPHX2 P34913 1/20 0.37
▸ NR3C1 P04150 1/20 0.37
▸ MEN1 O00255 1/20 0.37
▸ KMT2A Q03164 1/20 0.37
▸ ALDH1A1 P00352 1/20 0.36
▸ POLB P06746 1/20 0.36
▸ RAB9A P51151 1/20 0.35
▸ TSHR P16473 1/20 0.35
▸ SMN1; SMN2 Q16637 1/20 0.35
▸ PKM P14618 1/20 0.35

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
SCHEMBL18538305 1.00 ING2 (0.55) ING2PTPN2PTPN1PTPN4PTPN9
SCHEMBL18538252 0.87 PTPN2 (0.50) PTPN2PTPN1PTPN4PTPN9PTPN11
SCHEMBL18538254 0.87 PTPN2 (0.50) PTPN2PTPN1PTPN4PTPN9PTPN11
SCHEMBL22828087 0.83 ING2 (0.81) ING2L3MBTL1DUSP5DUSP6KMT2A
SCHEMBL18538304 0.82 ING2 (0.60) ING2PTPN2PTPN1PTPN4PTPN9
SCHEMBL18538306 0.82 ING2 (0.60) ING2PTPN2PTPN1PTPN4PTPN9
SCHEMBL18538251 0.82 PTPN2 (0.40) ING2PTPN2PTPN1PTPN4PTPN9
SCHEMBL18538262 0.82 PTPN2 (0.40) ING2PTPN2PTPN1PTPN4PTPN9
SCHEMBL19762894 0.82 ING2 (0.68) ING2PTPN2PTPN1PTPN11L3MBTL1
SCHEMBL18538284 0.77 ING2 (0.53) ING2L3MBTL1DUSP5DUSP6MEN1

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-20170052154-A1 COMPOUNDS AND CONJUGATES FOR IDENTIFYING AND SEPARATING POST-TRANSLATIONALLY MODIFIED ANALYTES UVIC INDUSTRY PARTNERSHIPS INC. (CA) 2017-02-23 — — US disclosed
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