SCHEMBL18538304

SCHEMBL18538304

Cc1cc2c(O)c(c1)Cc1cc(-c3ccccc3)cc(c1O)Cc1cc(S(=O)(=O)O)cc(c1O)Cc1cc(-c3ccccc3)cc(c1O)C2

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ING2 Q9H160 3/20 0.60
DUSP5 Q16690 1/20 0.41
DUSP6 Q16828 1/20 0.41
TSHR P16473 2/20 0.38
SMN1; SMN2 Q16637 2/20 0.38
ACLY P53396 1/20 0.35
POLB P06746 1/20 0.35
CYP2D6 P10635 1/20 0.35
PTPN2 P17706 1/20 0.35
PTPN1 P18031 1/20 0.35
PTPN4 P29074 1/20 0.35
PTPN9 P43378 1/20 0.35
PTPN11 Q06124 1/20 0.35
TRIM24 O15164 1/20 0.34
CRHBP P24387 2/20 0.34
CRHR2 Q13324 2/20 0.34
GAA P10253 1/20 0.34
CA1 P00915 1/20 0.34
CA2 P00918 1/20 0.34
CA9 Q16790 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
SCHEMBL18538306 1.00 ING2 (0.60) ING2DUSP5DUSP6TSHRSMN1; SMN2
SCHEMBL18538312 0.90 ING2 (0.62) ING2DUSP5DUSP6CYP2D6GAA
SCHEMBL18538286 0.88 ING2 (0.47) ING2DUSP5DUSP6TSHRSMN1; SMN2
SCHEMBL18538282 0.87 ING2 (0.59) ING2DUSP5DUSP6SMN1; SMN2CA1
SCHEMBL18538277 0.86 ING2 (0.45) ING2ACLYPTPN2PTPN1
SCHEMBL18538255 0.86 CRHBP (0.44) ING2SMN1; SMN2CYP2D6PTPN2PTPN1
SCHEMBL22828087 0.86 ING2 (0.81) ING2DUSP5DUSP6ACLYGAA
SCHEMBL18538259 0.86 CRHBP (0.44) ING2SMN1; SMN2CYP2D6PTPN2PTPN1
SCHEMBL18538253 0.86 CRHBP (0.44) ING2SMN1; SMN2CYP2D6PTPN2PTPN1
SCHEMBL19762894 0.85 ING2 (0.68) ING2DUSP5DUSP6TSHRSMN1; SMN2

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