SCHEMBL9014522

SCHEMBL9014522

O=C(O)COc1cccc2c1CCCC2=CCONC(c1ccccc1)c1ccncc1

nearest known ligand 0.40

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
PTGIR P43119 15/20 0.40
TDP1 Q9NUW8 1/20 0.37
TBXAS1 P24557 1/20 0.36
PTGDR Q13258 1/20 0.35
HTR1A P08908 1/20 0.35
SIGMAR1 Q99720 1/20 0.35

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
SCHEMBL9014512 1.00 PTGIR (0.40) PTGIRTDP1TBXAS1PTGDRHTR1A
SCHEMBL9014469 0.92 TBXAS1 (0.42) PTGIRTBXAS1
SCHEMBL9014464 0.92 TBXAS1 (0.42) PTGIRTBXAS1
SCHEMBL9014441 0.85 TBXAS1 (0.41) PTGIRTBXAS1
SCHEMBL9014438 0.85 TBXAS1 (0.41) PTGIRTBXAS1
SCHEMBL9014217 0.84 TBXAS1 (0.39) PTGIRTBXAS1
SCHEMBL9014215 0.84 TBXAS1 (0.39) PTGIRTBXAS1
SCHEMBL9014311 0.81 TBXAS1 (0.43) PTGIRTBXAS1
SCHEMBL9014306 0.81 TBXAS1 (0.43) PTGIRTBXAS1
SCHEMBL9014294 0.81 TBXAS1 (0.40) 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 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