SCHEMBL8809752

SCHEMBL8809752

O=C(O)COc1cccc2c1CCCC2/C=C/Cn1cnc(Cc2ccccc2)c1

nearest known ligand 0.44

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
PTGIR P43119 15/20 0.44
TBXAS1 P24557 1/20 0.40
PTGDR2 Q9Y5Y4 1/20 0.38
LIPG Q9Y5X9 1/20 0.36
CA1 P00915 1/20 0.34
CA2 P00918 1/20 0.34
ACHE P22303 1/20 0.34

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
SCHEMBL8811745 1.00 PTGIR (0.44) PTGIRTBXAS1PTGDR2LIPGCA1
SCHEMBL8811750 0.89 ACHE (0.35) PTGIRLIPGCA1CA2ACHE
SCHEMBL8410702 0.82 PTGIR (0.60) PTGIRTBXAS1PTGDR2
SCHEMBL8413331 0.77 PTGIR (0.39) PTGIRPTGDR2
SCHEMBL8809708 0.77 PTGIR (0.39) PTGIRPTGDR2
SCHEMBL8858471 0.74 PTGIR (0.54) PTGIRTBXAS1PTGDR2LIPG
SCHEMBL8858469 0.74 PTGIR (0.54) PTGIRTBXAS1PTGDR2LIPG
SCHEMBL9014550 0.73 PTGIR (0.67) PTGIRTBXAS1PTGDR2
SCHEMBL9014488 0.73 PTGIR (0.67) PTGIRTBXAS1PTGDR2
SCHEMBL9014558 0.73 PTGIR (0.67) PTGIRTBXAS1PTGDR2

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
EP-0548949-B1 Fused benzeneoxyacetic acid derivatives ONO PHARMACEUTICAL CO (JP) 1997-09-17 EP claimed
US-5389666-A Administering for treatment and prevention of thrombosis, arteriosclerosis, ischemic heart diseases, gastric ulcer or hypertension ONO PHARMACEUTICAL CO., LTD. (JP) 1995-02-14 US disclosed