SCHEMBL9014617

SCHEMBL9014617

O=C(O)COc1cccc2c1CCCC2/C=C/CO/N=C(\Cc1cc[nH]c1)c1ccccc1

nearest known ligand 0.49

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
PTGIR P43119 16/20 0.49
TBXAS1 P24557 1/20 0.44
PTGDR2 Q9Y5Y4 1/20 0.35
PTGDR Q13258 1/20 0.35
LIPG Q9Y5X9 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
SCHEMBL9014620 1.00 PTGIR (0.49) PTGIRTBXAS1PTGDR2PTGDRLIPG
SCHEMBL9014434 0.85 TBXAS1 (0.56) PTGIRTBXAS1PTGDR2PTGDR
SCHEMBL9014436 0.85 TBXAS1 (0.56) PTGIRTBXAS1PTGDR2PTGDR
SCHEMBL9014435 0.85 TBXAS1 (0.56) PTGIRTBXAS1PTGDR2PTGDR
SCHEMBL9014474 0.85 TBXAS1 (0.58) PTGIRTBXAS1PTGDR2PTGDR
SCHEMBL9014478 0.85 TBXAS1 (0.58) PTGIRTBXAS1PTGDR2PTGDR
SCHEMBL9014480 0.85 TBXAS1 (0.58) PTGIRTBXAS1PTGDR2PTGDR
SCHEMBL9014568 0.85 PTGIR (0.59) PTGIRTBXAS1PTGDR2PTGDRLIPG
SCHEMBL9014561 0.85 PTGIR (0.59) PTGIRTBXAS1PTGDR2PTGDRLIPG
SCHEMBL9014616 0.84 PTGIR (0.49) 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-0581187-B1 Oxime derivatives ONO PHARMACEUTICAL CO (JP) 1996-12-04 EP disclosed
US-5480998-A Oxime derivative ONO PHARMACEUTICAL CO., LTD. (JP) 1996-01-02 US disclosed
EP-0581187-A1 Oxime derivatives ONO PHARMACEUTICAL CO., LTD. (JP) 1994-02-02 EP disclosed