SCHEMBL8554939

SCHEMBL8554939

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

nearest known ligand 0.74

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
GAA P10253 2/20 0.68
NPSR1 Q6W5P4 1/20 0.68
ALDH1A1 P00352 3/20 0.58
KDM4E B2RXH2 2/20 0.58
HSD17B10 Q99714 2/20 0.58
HPGD P15428 2/20 0.58
TP53 P04637 1/20 0.58
MAPT P10636 1/20 0.58
ALOX15 P16050 1/20 0.57
SMN1; SMN2 Q16637 2/20 0.56
TSHR P16473 1/20 0.56
NR4A1 P22736 1/20 0.56
APEX1 P27695 1/20 0.56
POLB P06746 1/20 0.54
TBXAS1 P24557 1/20 0.52

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
SCHEMBL11815554 0.89 GAA (0.72) GAANPSR1ALDH1A1KDM4EHSD17B10
SCHEMBL11550281 0.87 GAA (0.70) GAANPSR1ALDH1A1KDM4EHSD17B10
SCHEMBL1107148 0.87 GAA (0.70) GAANPSR1ALDH1A1KDM4EHSD17B10
SCHEMBL377638 0.87 GAA (0.65) GAANPSR1ALDH1A1KDM4EHSD17B10
SCHEMBL9267668 0.87 GAA (0.70) GAANPSR1ALDH1A1KDM4EHSD17B10
SCHEMBL3495434 0.86 PLA2G4B (0.68) GAANPSR1ALDH1A1KDM4EHSD17B10
SCHEMBL7692043 0.85 GAA (0.68) GAANPSR1ALDH1A1KDM4EHSD17B10
SCHEMBL14402167 0.85 GAA (0.68) GAANPSR1ALDH1A1KDM4EHSD17B10
SCHEMBL434786 0.85 GAA (0.68) GAANPSR1ALDH1A1KDM4EHSD17B10
SCHEMBL10867147 0.85 GAA (0.68) GAANPSR1ALDH1A1KDM4EHSD17B10

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5817677-A ANTITHROMBOSIS AGENTS DR. KARL THOMAE GMBH (DE) 1998-10-06 US disclosed
EP-0858457-A1 5-MEMBERED HETEROCYCLES, PHARMACEUTICAL AGENTS CONTAINING SAID COMPOUNDS AND THE USE THEREOF AND METHODS OF PRODUCING THEM Dr. Karl Thomae GmbH (DE) 1998-08-19 EP disclosed
WO-1997015567-A1 5-MEMBERED HETEROCYCLES, PHARMACEUTICAL AGENTS CONTAINING SAID COMPOUNDS AND THE USE THEREOF AND METHODS OF PRODUCING THEM DR. KARL THOMAE GMBH (DE) 1997-05-01 WO disclosed