SCHEMBL9014440

SCHEMBL9014440

CCCCC/C(=N/OCCC1=CCCc2c(OCC(=O)O)cccc21)c1cccnc1

nearest known ligand 0.73

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
PTGIR P43119 3/20 0.62
PTGDR Q13258 1/20 0.62
TBXAS1 P24557 11/20 0.44
TBXA2R P21731 5/20 0.39
PPARG P37231 1/20 0.38
PPARA Q07869 1/20 0.38
LMNA P02545 2/20 0.36
NFKB1 P19838 2/20 0.35
NFKB2 Q00653 2/20 0.35
RELA Q04206 2/20 0.35
NPC1 O15118 1/20 0.35
POLB P06746 1/20 0.35
MAPT P10636 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
ALDH1A1 P00352 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
SCHEMBL9014445 1.00 PTGIR (0.62) PTGIRPTGDRTBXAS1TBXA2RPPARG
SCHEMBL9084302 0.93 PTGIR (0.52) PTGIRPTGDRTBXAS1TBXA2RPPARG
SCHEMBL9084310 0.93 PTGIR (0.52) PTGIRPTGDRTBXAS1TBXA2RPPARG
SCHEMBL9014528 0.86 PTGIR (0.68) PTGIRPTGDRTBXAS1TBXA2RLMNA
SCHEMBL9014532 0.86 PTGIR (0.68) PTGIRPTGDRTBXAS1TBXA2RLMNA
SCHEMBL4022778 0.84 PTGIR (0.84) PTGIRPTGDRTBXAS1TBXA2RMAPT
SCHEMBL3771846 0.84 PTGIR (0.84) PTGIRPTGDRTBXAS1TBXA2RMAPT
SCHEMBL3771841 0.84 PTGIR (0.84) PTGIRPTGDRTBXAS1TBXA2RMAPT
SCHEMBL32681969 0.84 PTGIR (0.84) PTGIRPTGDRTBXAS1TBXA2RMAPT
SCHEMBL9014224 0.84 PTGIR (0.62) PTGIRPTGDRTBXAS1TBXA2RNPC1

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