SCHEMBL7284147

SCHEMBL7284147

O=[C]c1ccc(OCC(=O)O)cc1OCC(=O)O

nearest known ligand 0.51

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
PTPN7 P35236 2/20 0.51
TSHR P16473 2/20 0.50
ALOX15 P16050 2/20 0.47
HSD17B10 Q99714 1/20 0.47
MCL1 Q07820 1/20 0.47
FFAR1 O14842 2/20 0.47
LMNA P02545 2/20 0.46
ALDH1A1 P00352 2/20 0.45
MAPT P10636 2/20 0.44
L3MBTL1 Q9Y468 1/20 0.44
PTGDR2 Q9Y5Y4 2/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
TDP1 Q9NUW8 1/20 0.42
MEN1 O00255 1/20 0.42
KMT2A Q03164 1/20 0.42
PTPN12 Q05209 1/20 0.42

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
SCHEMBL7285777 0.87 PTPN7 (0.51) PTPN7TSHRALOX15HSD17B10MCL1
SCHEMBL7293649 0.83 PTPN7 (0.51) PTPN7TSHRALOX15HSD17B10MCL1
SCHEMBL7294266 0.79 POLB (0.54) LMNAALDH1A1MAPTL3MBTL1SMN1; SMN2
SCHEMBL7285630 0.77 ALOX15 (0.47) PTPN7TSHRALOX15HSD17B10MCL1
SCHEMBL28124598 0.77 PTGDR2 (0.64) PTPN7TSHRALOX15FFAR1PTGDR2
SCHEMBL5384662 0.76 MCL1 (0.63) PTPN7TSHRALOX15HSD17B10MCL1
SCHEMBL5395902 0.76 MCL1 (0.68) PTPN7TSHRALOX15HSD17B10MCL1
SCHEMBL13665126 0.75 NPC1 (0.59) HSD17B10LMNAMAPTPTGDR2SMN1; SMN2
SCHEMBL5394389 0.75 TSHR (0.71) PTPN7TSHRALOX15HSD17B10MCL1
SCHEMBL7173279 0.75 TSHR (0.62) PTPN7TSHRALOX15HSD17B10MCL1

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4760064-A Cardiotonic agent OTSUKA PHARMACEUTICAL CO., LTD. (JP) 1988-07-26 US disclosed
EP-0187322-A1 Carbostyril compounds, compositions containing same and processes for preparing same OTSUKA PHARMACEUTICAL CO., LTD. (JP) 1986-07-16 EP disclosed