SCHEMBL9014438

SCHEMBL9014438

O=C(O)COc1cccc2c1CCC/C2=C/CONC(Cc1ccccc1)c1cccnc1

nearest known ligand 0.43

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
TBXAS1 P24557 3/20 0.41
PTGIR P43119 8/20 0.39
KMT2A Q03164 1/20 0.37
HTT P42858 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
PPARG P37231 1/20 0.36
PPARD Q03181 1/20 0.36
CYP1A2 P05177 1/20 0.35
CYP3A4 P08684 1/20 0.35
CYP2D6 P10635 1/20 0.35
CYP2C9 P11712 1/20 0.35
CYP2C19 P33261 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
SCHEMBL9014441 1.00 TBXAS1 (0.41) TBXAS1PTGIRKMT2AHTTSMN1; SMN2
SCHEMBL9014217 0.96 TBXAS1 (0.39) TBXAS1PTGIRKMT2AHTTSMN1; SMN2
SCHEMBL9014215 0.96 TBXAS1 (0.39) TBXAS1PTGIRKMT2AHTTSMN1; SMN2
SCHEMBL9014469 0.91 TBXAS1 (0.42) TBXAS1PTGIRKMT2AHTTSMN1; SMN2
SCHEMBL9014464 0.91 TBXAS1 (0.42) TBXAS1PTGIRKMT2AHTTSMN1; SMN2
SCHEMBL9014311 0.88 TBXAS1 (0.43) TBXAS1PTGIR
SCHEMBL9014306 0.88 TBXAS1 (0.43) TBXAS1PTGIR
SCHEMBL9014294 0.88 TBXAS1 (0.40) TBXAS1PTGIRKMT2A
SCHEMBL9014287 0.88 TBXAS1 (0.40) TBXAS1PTGIRKMT2A
SCHEMBL9014512 0.85 PTGIR (0.40) TBXAS1PTGIR

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