SCHEMBL9059249

SCHEMBL9059249

COC(=O)COc1ccc(C=CC(=O)Oc2ccc([N+](=O)[O-])cc2)cc1OC

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 2/20 0.60
APP P05067 1/20 0.58
MAPT P10636 8/20 0.54
GAA P10253 2/20 0.54
CYP19A1 P11511 1/20 0.54
FDPS P14324 2/20 0.54
SMN1; SMN2 Q16637 4/20 0.53
ALDH1A1 P00352 2/20 0.53
LMNA P02545 1/20 0.53
KMT2A Q03164 4/20 0.52
MEN1 O00255 2/20 0.52
CYP3A4 P08684 1/20 0.52
CYP2C19 P33261 1/20 0.52
KDM4E B2RXH2 2/20 0.51
NTSR1 P30989 1/20 0.51
NPSR1 Q6W5P4 1/20 0.51
MMP1 P03956 1/20 0.50
CA2 P00918 1/20 0.49
CA5A P35218 1/20 0.49
CA9 Q16790 1/20 0.49

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
SCHEMBL9523755 0.88 PTGS2 (0.69) PTGS2MAPTGAACYP19A1SMN1; SMN2
SCHEMBL9523759 0.88 PTGS2 (0.69) PTGS2MAPTGAACYP19A1SMN1; SMN2
SCHEMBL8832155 0.86 PTGS2 (0.50) PTGS2MAPTGAACYP19A1SMN1; SMN2
SCHEMBL8832152 0.86 PTGS2 (0.50) PTGS2MAPTGAACYP19A1SMN1; SMN2
SCHEMBL4262626 0.82 FDPS (0.78) APPMAPTGAAFDPSSMN1; SMN2
SCHEMBL4262630 0.82 FDPS (0.78) APPMAPTGAAFDPSSMN1; SMN2
SCHEMBL9522627 0.82 CYP19A1 (0.55) PTGS2MAPTGAACYP19A1SMN1; SMN2
SCHEMBL30839393 0.82 MAPT (0.66) PTGS2APPMAPTGAACYP19A1
SCHEMBL9522624 0.82 CYP19A1 (0.55) PTGS2MAPTGAACYP19A1SMN1; SMN2
SCHEMBL1597196 0.82 MAPT (0.66) PTGS2APPMAPTGAACYP19A1

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
JP-8291125-A None JP disclosed
JP-H08291125-A PRODUCTION OF CINNAMIC HYDRAZIDE DERIVATIVE FUJI PHOTO FILM CO LTD 1996-11-05 JP disclosed