SCHEMBL11550281

SCHEMBL11550281

CCOC(=O)COc1ccc(Oc2ccc(OCC(=O)OCC)cc2)cc1

nearest known ligand 0.77

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 2/20 0.70
NPSR1 Q6W5P4 1/20 0.70
KDM4E B2RXH2 3/20 0.56
HSD17B10 Q99714 2/20 0.56
HPGD P15428 3/20 0.56
ALDH1A1 P00352 2/20 0.56
MAPT P10636 2/20 0.56
TP53 P04637 1/20 0.56
POLB P06746 2/20 0.55
SMN1; SMN2 Q16637 2/20 0.54
TBXAS1 P24557 1/20 0.54
PTPN1 P18031 1/20 0.52
LTA4H P09960 1/20 0.50
NPC1 O15118 1/20 0.50
CRHBP P24387 1/20 0.50
RAB9A P51151 1/20 0.50
CRHR2 Q13324 1/20 0.50
ALOX15 P16050 1/20 0.50
TSHR P16473 1/20 0.50
LMNA P02545 1/20 0.50

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
SCHEMBL24806572 0.92 GAA (0.60) GAANPSR1KDM4EHSD17B10HPGD
SCHEMBL17479424 0.92 NPSR1 (0.60) GAANPSR1KDM4EHSD17B10HPGD
SCHEMBL14116961 0.92 GAA (0.60) GAANPSR1KDM4EHSD17B10HPGD
SCHEMBL14402167 0.91 GAA (0.68) GAANPSR1KDM4EHSD17B10HPGD
SCHEMBL11815554 0.90 GAA (0.72) GAANPSR1KDM4EHSD17B10HPGD
SCHEMBL4373468 0.90 MAPT (0.59) GAANPSR1KDM4EHSD17B10HPGD
SCHEMBL11175140 0.89 NPSR1 (0.57) GAANPSR1KDM4EHSD17B10HPGD
SCHEMBL9267668 0.89 GAA (0.70) GAANPSR1KDM4EHSD17B10HPGD
SCHEMBL1107148 0.89 GAA (0.70) GAANPSR1KDM4EHSD17B10HPGD
SCHEMBL23605965 0.87 GAA (0.56) GAANPSR1KDM4EHSD17B10HPGD

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-4148915-A ARTERIOSCLEROSIS AND HYPERLIPEMIA TREATMENT DIURETICS, ANTICHOLESTEROL AND ANTILIPEMIC ALBERT ROLLAND, S.A. (FR) 1979-04-10 US disclosed