SCHEMBL9384237

SCHEMBL9384237

O=C(Oc1cccc(C(=O)O)c1OC(=O)c1ccc(O)cc1)c1cccc(O)c1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC2A1 P11166 1/20 0.61
SLC2A4 P14672 1/20 0.61
ESR1 P03372 5/20 0.58
ESR2 Q92731 5/20 0.58
MAPK1 P28482 1/20 0.48
CA12 O43570 1/20 0.45
CA1 P00915 1/20 0.45
CA2 P00918 1/20 0.45
CA6 P23280 1/20 0.45
CA9 Q16790 1/20 0.45
SLC6A3 Q01959 1/20 0.43
MAPT P10636 3/20 0.43
KMT2A Q03164 3/20 0.43
HSD17B10 Q99714 2/20 0.43
SMN1; SMN2 Q16637 2/20 0.43
MEN1 O00255 1/20 0.43
JAK2 O60674 1/20 0.43
USP2 O75604 1/20 0.43
GAA P10253 1/20 0.43
ALOX15 P16050 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
SCHEMBL11194517 0.83 MAPK1 (0.55) SLC2A1SLC2A4ESR1ESR2MAPK1
SCHEMBL11199739 0.83 MAPK1 (0.58) SLC2A1SLC2A4ESR1ESR2MAPK1
SCHEMBL4846409 0.78 ESR1 (0.69) ESR1ESR2SLC6A3MAPTKMT2A
SCHEMBL9384244 0.78 ESR1 (0.49) ESR1ESR2MAPTKMT2AHSD17B10
SCHEMBL29905085 0.76 SLC2A1 (0.69) SLC2A1SLC2A4ESR1ESR2CA12
SCHEMBL8766835 0.76 ALDH1A1 (0.62) ESR1ESR2MAPK1CA12CA1
SCHEMBL8766831 0.76 ESR1 (0.54) ESR1ESR2MAPK1CA12CA1
SCHEMBL30465014 0.76 SLC2A1 (1.00) SLC2A1SLC2A4ESR1ESR2CA12
SCHEMBL19183300 0.76 SLC2A1 (1.00) SLC2A1SLC2A4ESR1ESR2CA12
SCHEMBL11005651 0.76 ESR1 (0.61) SLC2A1SLC2A4ESR1ESR2SLC6A3

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
WO-1994003477-A1 SALICYLIC ACID BINDING PROTEIN RUTGERS, THE STATE UNIVERSITY OF NEW JERSEY (US) 1994-02-17 WO disclosed