SCHEMBL9014450

SCHEMBL9014450

O=C(O)COc1cccc2c1CCC=C2CCO/N=C(\Cc1cc[nH]c1)c1ccccc1

nearest known ligand 0.69

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
PTGIR P43119 7/20 0.69
PTGDR Q13258 1/20 0.69
MRGPRX4 Q96LA9 1/20 0.36
TBXAS1 P24557 1/20 0.36
SIGMAR1 Q99720 4/20 0.35
DDB1 Q16531 1/20 0.32
CRBN Q96SW2 1/20 0.32
KDM4E B2RXH2 1/20 0.32
ALDH1A1 P00352 1/20 0.32
HPGD P15428 1/20 0.32
TDP1 Q9NUW8 1/20 0.32
PPARG P37231 1/20 0.32
PPARA Q07869 1/20 0.32
LMNA P02545 1/20 0.32
MAPT P10636 1/20 0.32
FFAR1 O14842 1/20 0.31

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
SCHEMBL9014460 1.00 PTGIR (0.69) PTGIRPTGDRMRGPRX4TBXAS1SIGMAR1
SCHEMBL9014806 0.92 PTGIR (0.57) PTGIRPTGDRMRGPRX4TBXAS1SIGMAR1
SCHEMBL9014798 0.92 PTGIR (0.57) PTGIRPTGDRMRGPRX4TBXAS1SIGMAR1
SCHEMBL9014590 0.84 PTGIR (0.68) PTGIRPTGDRMRGPRX4TBXAS1SIGMAR1
SCHEMBL9014597 0.84 PTGIR (0.68) PTGIRPTGDRMRGPRX4TBXAS1SIGMAR1
SCHEMBL9014528 0.83 PTGIR (0.68) PTGIRPTGDRMRGPRX4TBXAS1SIGMAR1
SCHEMBL9014532 0.83 PTGIR (0.68) PTGIRPTGDRMRGPRX4TBXAS1SIGMAR1
SCHEMBL9014800 0.80 PTGIR (0.42) PTGIRPTGDRMRGPRX4TBXAS1DDB1
SCHEMBL9014807 0.80 PTGIR (0.42) PTGIRPTGDRMRGPRX4TBXAS1DDB1
SCHEMBL9014259 0.77 PTGIR (0.89) PTGIRPTGDRTBXAS1ALDH1A1HPGD

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 2 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