SCHEMBL3670074

SCHEMBL3670074

COC(OC)Oc1ccc(CC=C(C)C)c(C=Cc2ccc([N+](=O)[O-])cc2)c1

nearest known ligand 0.50

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
TLR9 Q9NR96 1/20 0.50
PTGS2 P35354 7/20 0.47
PTGS1 P23219 2/20 0.44
MAOB P27338 2/20 0.42
MAPT P10636 2/20 0.42
SNCA P37840 1/20 0.42
MAOA P21397 1/20 0.42
CYP19A1 P11511 1/20 0.41
NFE2L2 Q16236 1/20 0.40
KRAS P01116 1/20 0.38
GCK P35557 1/20 0.38
MEN1 O00255 1/20 0.38
KMT2A Q03164 1/20 0.38

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
SCHEMBL3670644 0.85 PTGS2 (0.51) TLR9PTGS2PTGS1MAPTCYP19A1
SCHEMBL6137889 0.83 PTGS2 (0.51) TLR9PTGS2PTGS1CYP19A1
SCHEMBL6138215 0.80 PTGS2 (0.42) TLR9PTGS2PTGS1MAOBMAPT
SCHEMBL4257030 0.77 PTGS2 (0.53) TLR9PTGS2PTGS1MAOBMAPT
SCHEMBL3673498 0.75 CYP19A1 (0.58) TLR9PTGS2PTGS1MAOBMAPT
SCHEMBL6431521 0.73 PTGS2 (0.51) TLR9PTGS2PTGS1MAOBMAOA
SCHEMBL6431529 0.73 PTGS2 (0.51) TLR9PTGS2PTGS1MAOBMAOA
SCHEMBL3671688 0.72 ALOX5 (0.62) TLR9PTGS2PTGS1MAPTCYP19A1
SCHEMBL3671690 0.72 ALOX5 (0.62) TLR9PTGS2PTGS1MAPTCYP19A1
SCHEMBL3675284 0.71 MAPT (0.52) TLR9PTGS2PTGS1MAOBMAPT

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