SCHEMBL9014458

SCHEMBL9014458

O=C(O)COc1cccc2c1CCCC2C=CCON=C(c1ccccc1)c1ccncc1

nearest known ligand 0.61

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
PTGIR P43119 12/20 0.61
TBXAS1 P24557 1/20 0.61
PTGDR Q13258 1/20 0.45
TDP1 Q9NUW8 1/20 0.39
PTGDR2 Q9Y5Y4 1/20 0.38
ALDH1A1 P00352 1/20 0.36
CYP1A2 P05177 1/20 0.36
CYP3A4 P08684 1/20 0.36
CYP2D6 P10635 1/20 0.36
CYP2C9 P11712 1/20 0.36
HPGD P15428 1/20 0.36
CYP2C19 P33261 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
TBXA2R P21731 2/20 0.36
KDM4C Q9H3R0 1/20 0.36

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
SCHEMBL9014449 1.00 PTGIR (0.61) PTGIRTBXAS1PTGDRTDP1PTGDR2
SCHEMBL9014443 1.00 PTGIR (0.61) PTGIRTBXAS1PTGDRTDP1PTGDR2
SCHEMBL9014558 0.95 PTGIR (0.67) PTGIRTBXAS1PTGDRPTGDR2
SCHEMBL9014550 0.95 PTGIR (0.67) PTGIRTBXAS1PTGDRPTGDR2
SCHEMBL9014488 0.95 PTGIR (0.67) PTGIRTBXAS1PTGDRPTGDR2
SCHEMBL9014419 0.93 TBXAS1 (0.72) PTGIRTBXAS1PTGDRTBXA2R
SCHEMBL9014432 0.93 TBXAS1 (0.72) PTGIRTBXAS1PTGDRTBXA2R
SCHEMBL9014424 0.93 TBXAS1 (0.72) PTGIRTBXAS1PTGDRTBXA2R
SCHEMBL9014436 0.84 TBXAS1 (0.56) PTGIRTBXAS1PTGDRPTGDR2KDM4C
SCHEMBL9014434 0.84 TBXAS1 (0.56) PTGIRTBXAS1PTGDRPTGDR2KDM4C

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