SCHEMBL10545293

SCHEMBL10545293

CCOC(=O)COc1ccc(C(=O)CO)cc1

nearest known ligand 0.66

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
GAA P10253 2/20 0.60
NPSR1 Q6W5P4 1/20 0.60
ALDH1A1 P00352 2/20 0.54
L3MBTL1 Q9Y468 2/20 0.51
MAPT P10636 3/20 0.51
HPGD P15428 2/20 0.51
POLB P06746 2/20 0.51
LMNA P02545 1/20 0.51
KDM4E B2RXH2 2/20 0.50
HSD17B10 Q99714 2/20 0.50
NPC1 O15118 1/20 0.50
TP53 P04637 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
SCHEMBL12477096 0.89 GAA (0.62) GAANPSR1ALDH1A1L3MBTL1MAPT
SCHEMBL2010751 0.86 GAA (0.59) GAANPSR1ALDH1A1L3MBTL1MAPT
SCHEMBL2010507 0.86 GAA (0.59) GAANPSR1ALDH1A1L3MBTL1MAPT
SCHEMBL16035326 0.85 NPSR1 (0.66) GAANPSR1ALDH1A1L3MBTL1MAPT
Hydrochloric Acid SCHEMBL11660184 0.84 GAA (0.57) GAANPSR1ALDH1A1L3MBTL1MAPT
SCHEMBL3495434 0.83 PLA2G4B (0.68) GAANPSR1ALDH1A1MAPTHPGD
SCHEMBL11109551 0.83 MAPT (0.54) GAAALDH1A1L3MBTL1MAPTPOLB
SCHEMBL707685 0.83 GAA (0.64) GAANPSR1ALDH1A1L3MBTL1MAPT
SCHEMBL6941063 0.83 GAA (0.64) GAANPSR1ALDH1A1L3MBTL1MAPT
SCHEMBL11815554 0.83 GAA (0.72) GAANPSR1ALDH1A1MAPTHPGD

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-RE33109-E ANTIULCER, ANTIINFLAMMATORY BIOREX LABORATORIES LIMITED (GB) 1989-11-07 US disclosed
US-4656305-A ANTIINFLAMMATORY AND ANTIULCER AGENTS; ANTIALLERGENS; ANALGESICS BIOREX LABORATORIES, LIMITED (GB) 1987-04-07 US disclosed