SCHEMBL3671310

SCHEMBL3671310

COC(OC)Oc1cccc(C=CC=Cc2ccc([N+](=O)[O-])cc2)c1

nearest known ligand 0.55

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
APP P05067 1/20 0.55
CYP19A1 P11511 2/20 0.52
PTGS2 P35354 5/20 0.52
PTGS1 P23219 1/20 0.52
NFE2L2 Q16236 3/20 0.52
KMT2A Q03164 2/20 0.48
NPC1 O15118 1/20 0.48
RAB9A P51151 1/20 0.48
TDP1 Q9NUW8 1/20 0.48
MAPT P10636 2/20 0.47
ALDH1A1 P00352 1/20 0.47
LMNA P02545 1/20 0.47
FBP1 P09467 1/20 0.46
MAOB P27338 2/20 0.45
MAOA P21397 1/20 0.43
TLR9 Q9NR96 1/20 0.43
MEN1 O00255 1/20 0.43
GAA P10253 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43

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
SCHEMBL3673498 0.95 CYP19A1 (0.58) APPCYP19A1PTGS2PTGS1NFE2L2
SCHEMBL1405456 0.80 PTGS2 (0.75) CYP19A1PTGS2PTGS1NFE2L2KMT2A
SCHEMBL1405454 0.80 PTGS2 (0.75) CYP19A1PTGS2PTGS1NFE2L2KMT2A
SCHEMBL10399340 0.75 MAPT (0.58) PTGS2PTGS1NFE2L2KMT2ANPC1
SCHEMBL592401 0.74 APP (0.85) APPCYP19A1PTGS2PTGS1NFE2L2
SCHEMBL592400 0.74 APP (0.85) APPCYP19A1PTGS2PTGS1NFE2L2
SCHEMBL9785831 0.74 NFE2L2 (0.83) APPCYP19A1PTGS2PTGS1NFE2L2
SCHEMBL9785833 0.74 NFE2L2 (0.83) APPCYP19A1PTGS2PTGS1NFE2L2
SCHEMBL9839066 0.74 APP (1.00) APPCYP19A1PTGS2PTGS1KMT2A
SCHEMBL10694591 0.74 APP (1.00) APPCYP19A1PTGS2PTGS1KMT2A

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 8 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
JP-4425628-B2 2010-03-03 JP claimed
EP-1435894-A4 CYTOPROTECTIVE COMPOUNDS, PHARMACEUTICAL AND COSMETIC FORMULATIONS, AND METHODS GALILEO PHARMACEUTICALS INC (US) 2005-07-06 EP claimed
JP-2005505519-A 2005-02-24 JP claimed
EP-1435894-A2 CYTOPROTECTIVE COMPOUNDS, PHARMACEUTICAL AND COSMETIC FORMULATIONS, AND METHODS Galileo Pharmaceuticals, Inc. (US) 2004-07-14 EP claimed
WO-2003009807-A2 CYTOPROTECTIVE COMPOUNDS, PHARMACEUTICAL AND COSMETIC FORMULATIONS, AND METHODS GALILEO LABORATORIES, INC. (US) 2003-02-06 WO claimed
EP-1435894-A4 CYTOPROTECTIVE COMPOUNDS, PHARMACEUTICAL AND COSMETIC FORMULATIONS, AND METHODS GALILEO PHARMACEUTICALS INC (US) 2005-07-06 EP disclosed
EP-1435894-A2 CYTOPROTECTIVE COMPOUNDS, PHARMACEUTICAL AND COSMETIC FORMULATIONS, AND METHODS Galileo Pharmaceuticals, Inc. (US) 2004-07-14 EP disclosed
WO-2003009807-A2 CYTOPROTECTIVE COMPOUNDS, PHARMACEUTICAL AND COSMETIC FORMULATIONS, AND METHODS GALILEO LABORATORIES, INC. (US) 2003-02-06 WO disclosed