SCHEMBL9014479

SCHEMBL9014479

O=C(O)COc1cccc2c1CCCC2=CCONC(c1cccnc1)C1CCCCC1

nearest known ligand 0.42

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
TBXAS1 P24557 3/20 0.42
PTGIR P43119 11/20 0.38
PTGES O14684 2/20 0.34
PTGS2 P35354 2/20 0.34
PTGDR2 Q9Y5Y4 1/20 0.33
KMT2A Q03164 1/20 0.33

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
SCHEMBL9014476 1.00 TBXAS1 (0.42) TBXAS1PTGIRPTGESPTGS2PTGDR2
SCHEMBL9014311 0.87 TBXAS1 (0.43) TBXAS1PTGIR
SCHEMBL9014306 0.87 TBXAS1 (0.43) TBXAS1PTGIR
SCHEMBL9014464 0.86 TBXAS1 (0.42) TBXAS1PTGIRKMT2A
SCHEMBL9014469 0.86 TBXAS1 (0.42) TBXAS1PTGIRKMT2A
SCHEMBL9014438 0.84 TBXAS1 (0.41) TBXAS1PTGIRKMT2A
SCHEMBL9014441 0.84 TBXAS1 (0.41) TBXAS1PTGIRKMT2A
SCHEMBL9014217 0.83 TBXAS1 (0.39) TBXAS1PTGIRKMT2A
SCHEMBL9014215 0.83 TBXAS1 (0.39) TBXAS1PTGIRKMT2A
SCHEMBL9014544 0.81 TBXAS1 (0.45) TBXAS1PTGIRPTGESPTGDR2

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