SCHEMBL9005657

SCHEMBL9005657

CCOC(=O)COc1cccc2c1CCCC2CCO

nearest known ligand 0.53

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
PTGIR P43119 8/20 0.53
TBXAS1 P24557 1/20 0.46
ALDH1A1 P00352 2/20 0.42
KDM4E B2RXH2 1/20 0.42
MEN1 O00255 1/20 0.42
MAPT P10636 1/20 0.42
HPGD P15428 1/20 0.42
KMT2A Q03164 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
HSD17B10 Q99714 1/20 0.42
GAA P10253 1/20 0.41

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
SCHEMBL7778589 0.92 PTGIR (0.49) PTGIRTBXAS1ALDH1A1KDM4EMEN1
SCHEMBL8411209 0.88 PTGIR (0.56) PTGIRTBXAS1
SCHEMBL9155513 0.84 PTGIR (0.69) PTGIRTBXAS1
SCHEMBL9005581 0.84 PTGIR (0.70) PTGIRTBXAS1
SCHEMBL7772386 0.83 PTGIR (0.54) PTGIRTBXAS1
SCHEMBL8414336 0.82 PTGIR (0.49) PTGIRTBXAS1
SCHEMBL8414245 0.82 PTGIR (0.57) PTGIR
SCHEMBL8411211 0.81 PTGIR (0.47) PTGIR
SCHEMBL7483364 0.80 USP2 (0.45) ALDH1A1KDM4EMEN1MAPTHPGD
SCHEMBL8413684 0.80 PTGIR (0.57) PTGIRTBXAS1

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
EP-0578847-B1 Fused benzeneoxyacetic acid derivatives and their use as PG12 antagonists ONO PHARMACEUTICAL CO (JP) 1996-10-09 EP disclosed
US-5461045-A Treating thrombosis, arteriosclerosis, ischemic heart diseases, gastric ulcer and hypertension ONO PHARMACEUTICAL CO., LTD. (JP) 1995-10-24 US disclosed
EP-0578847-A1 Fused benzeneoxyacetic acid derivatives and their use as PG12 antagonists ONO PHARMACEUTICAL CO., LTD. (JP) 1994-01-19 EP disclosed