SCHEMBL9014568

SCHEMBL9014568

O=C(O)COc1cccc2c1CCCC2CON=C(Cc1cc[nH]c1)c1ccccc1

nearest known ligand 0.59

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
PTGIR P43119 13/20 0.59
TBXAS1 P24557 1/20 0.53
PTGDR2 Q9Y5Y4 1/20 0.38
PTGDR Q13258 1/20 0.37
KMT2A Q03164 1/20 0.36
KDM4C Q9H3R0 1/20 0.36
LIPG Q9Y5X9 1/20 0.35
SIGMAR1 Q99720 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
SCHEMBL9014561 1.00 PTGIR (0.59) PTGIRTBXAS1PTGDR2PTGDRKMT2A
SCHEMBL9014593 0.92 PTGIR (0.70) PTGIRTBXAS1PTGDR2PTGDRSIGMAR1
SCHEMBL9014598 0.92 PTGIR (0.70) PTGIRTBXAS1PTGDR2PTGDRSIGMAR1
SCHEMBL9014620 0.85 PTGIR (0.49) PTGIRTBXAS1PTGDR2PTGDRLIPG
SCHEMBL9014617 0.85 PTGIR (0.49) PTGIRTBXAS1PTGDR2PTGDRLIPG
SCHEMBL9014461 0.84 TBXAS1 (0.67) PTGIRTBXAS1PTGDR2KDM4C
SCHEMBL9014453 0.84 TBXAS1 (0.67) PTGIRTBXAS1PTGDR2KDM4C
SCHEMBL9014208 0.83 TBXAS1 (0.69) PTGIRTBXAS1PTGDR2PTGDRKDM4C
SCHEMBL9014204 0.83 TBXAS1 (0.69) PTGIRTBXAS1PTGDR2PTGDRKDM4C
SCHEMBL9014586 0.82 PTGIR (0.69) PTGIRTBXAS1PTGDR

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-0581187-B1 Oxime derivatives ONO PHARMACEUTICAL CO (JP) 1996-12-04 EP disclosed
EP-0581187-A1 Oxime derivatives ONO PHARMACEUTICAL CO., LTD. (JP) 1994-02-02 EP disclosed