SCHEMBL3670644

SCHEMBL3670644

COC(OC)Oc1cc(C=Cc2ccc([N+](=O)[O-])cc2)ccc1CC=C(C)C

nearest known ligand 0.51

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 8/20 0.51
CYP19A1 P11511 2/20 0.51
PTGS1 P23219 3/20 0.43
TLR9 Q9NR96 1/20 0.41
AKR1C3 P42330 2/20 0.41
AKR1C2 P52895 2/20 0.41
MAPT P10636 2/20 0.39
ABCB1 P08183 1/20 0.39
KRAS P01116 1/20 0.39
APP P05067 2/20 0.39
NFE2L2 Q16236 1/20 0.39
MMP1 P03956 1/20 0.37

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
SCHEMBL6137889 0.91 PTGS2 (0.51) PTGS2CYP19A1PTGS1TLR9AKR1C3
SCHEMBL6138215 0.85 PTGS2 (0.42) PTGS2CYP19A1PTGS1TLR9MAPT
SCHEMBL3670074 0.85 TLR9 (0.50) PTGS2CYP19A1PTGS1TLR9MAPT
SCHEMBL3672848 0.80 TUBB4A (0.47) PTGS2CYP19A1PTGS1AKR1C3AKR1C2
SCHEMBL6431521 0.79 PTGS2 (0.51) PTGS2CYP19A1PTGS1TLR9ABCB1
SCHEMBL6431529 0.79 PTGS2 (0.51) PTGS2CYP19A1PTGS1TLR9ABCB1
SCHEMBL3671690 0.78 ALOX5 (0.62) PTGS2CYP19A1PTGS1TLR9AKR1C3
SCHEMBL3671688 0.78 ALOX5 (0.62) PTGS2CYP19A1PTGS1TLR9AKR1C3
SCHEMBL6138261 0.77 AKR1C3 (0.43) PTGS2CYP19A1PTGS1AKR1C3AKR1C2
SCHEMBL4257028 0.75 PTGS2 (0.52) PTGS2CYP19A1PTGS1TLR9AKR1C3

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