SCHEMBL9014170

SCHEMBL9014170

O=C(O)COc1cccc2c1CCCC2CCO/N=C(/CC1CCCC1)c1cccnc1

nearest known ligand 0.76

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
TBXAS1 P24557 3/20 0.76
PTGIR P43119 9/20 0.67
KDM4C Q9H3R0 3/20 0.43
ALDH1A1 P00352 1/20 0.41

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
SCHEMBL9014175 1.00 TBXAS1 (0.76) TBXAS1PTGIRKDM4CALDH1A1
SCHEMBL9014533 0.93 TBXAS1 (0.66) TBXAS1PTGIRKDM4CALDH1A1
SCHEMBL9014539 0.93 TBXAS1 (0.66) TBXAS1PTGIRKDM4CALDH1A1
SCHEMBL9014452 0.89 TBXAS1 (0.79) TBXAS1PTGIRKDM4C
SCHEMBL9014455 0.89 TBXAS1 (0.79) TBXAS1PTGIRKDM4C
SCHEMBL9014640 0.87 TBXAS1 (0.79) TBXAS1PTGIRKDM4C
SCHEMBL9014637 0.87 TBXAS1 (0.79) TBXAS1PTGIRKDM4C
SCHEMBL9014466 0.86 TBXAS1 (1.00) TBXAS1PTGIRKDM4C
SCHEMBL9014454 0.86 TBXAS1 (1.00) TBXAS1PTGIRKDM4C
SCHEMBL9014632 0.86 TBXAS1 (0.73) TBXAS1PTGIRKDM4C

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