SCHEMBL9014632

SCHEMBL9014632

CCCCCC(=NOCCC1CCCc2c(OCC(=O)O)cccc21)c1cccnc1

nearest known ligand 0.73

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
TBXAS1 P24557 7/20 0.73
PTGIR P43119 9/20 0.64
KDM4C Q9H3R0 3/20 0.40
TBXA2R P21731 1/20 0.37

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
SCHEMBL9014628 1.00 TBXAS1 (0.73) TBXAS1PTGIRKDM4CTBXA2R
SCHEMBL9014491 0.94 TBXAS1 (0.64) TBXAS1PTGIRKDM4C
SCHEMBL9014496 0.94 TBXAS1 (0.64) TBXAS1PTGIRKDM4C
SCHEMBL9014170 0.86 TBXAS1 (0.76) TBXAS1PTGIRKDM4C
SCHEMBL9014455 0.86 TBXAS1 (0.79) TBXAS1PTGIRKDM4C
SCHEMBL9014175 0.86 TBXAS1 (0.76) TBXAS1PTGIRKDM4C
SCHEMBL9014452 0.86 TBXAS1 (0.79) TBXAS1PTGIRKDM4C
SCHEMBL9014258 0.86 TBXAS1 (0.54) TBXAS1PTGIRKDM4CTBXA2R
SCHEMBL9014266 0.86 TBXAS1 (0.54) TBXAS1PTGIRKDM4CTBXA2R
SCHEMBL9014264 0.86 TBXAS1 (0.54) TBXAS1PTGIRKDM4CTBXA2R

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