SCHEMBL18538283

SCHEMBL18538283

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

nearest known ligand 0.68

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ING2 Q9H160 3/20 0.68
CYTH2 Q99418 2/20 0.57
GAA P10253 4/20 0.51
ALDH1A1 P00352 3/20 0.51
ALOX15 P16050 2/20 0.51
HSD17B10 Q99714 2/20 0.51
PKM P14618 1/20 0.51
HTT P42858 1/20 0.51
FFAR4 Q5NUL3 1/20 0.47
MAPT P10636 2/20 0.46
LMNA P02545 1/20 0.46
CA12 O43570 1/20 0.44
CA1 P00915 1/20 0.44
CA2 P00918 1/20 0.44
CA9 Q16790 1/20 0.44
TP53 P04637 1/20 0.43
METAP2 P50579 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
BRD4 O60885 1/20 0.43
IL1RN P18510 1/20 0.43

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
SCHEMBL18538247 0.91 ING2 (0.70) ING2CYTH2GAAALDH1A1HSD17B10
SCHEMBL19817546 0.88 ING2 (0.89) ING2CYTH2GAAFFAR4MAPT
SCHEMBL19817553 0.88 ING2 (0.89) ING2CYTH2GAAFFAR4MAPT
SCHEMBL19818223 0.81 ING2 (1.00) ING2GAAMAPTCA12CA1
SCHEMBL22828087 0.81 ING2 (0.81) ING2GAAALDH1A1MAPTLMNA
SCHEMBL18538306 0.80 ING2 (0.60) ING2GAAALDH1A1CA1CA2
SCHEMBL18538304 0.80 ING2 (0.60) ING2GAAALDH1A1CA1CA2
SCHEMBL19762894 0.80 ING2 (0.68) ING2GAAALDH1A1ALOX15HSD17B10
SCHEMBL18538273 0.79 ING2 (0.74) ING2CYTH2GAAALDH1A1HTT
SCHEMBL18538314 0.79 ING2 (0.67) ING2CYTH2GAAALDH1A1HTT

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