SCHEMBL6138215

SCHEMBL6138215

COC(OC)Oc1ccc(CC=C(C)C)c(C=Cc2ccc([N+](=O)[O-])cc2)c1CC=C(C)C

nearest known ligand 0.42

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 9/20 0.42
CYP19A1 P11511 7/20 0.42
ALOX5 P09917 3/20 0.40
TLR9 Q9NR96 1/20 0.39
PTGS1 P23219 2/20 0.38
ABCB1 P08183 1/20 0.37
APP P05067 1/20 0.36
MAPT P10636 2/20 0.35
MMP1 P03956 1/20 0.35
KRAS P01116 1/20 0.35
MEN1 O00255 1/20 0.35
LMNA P02545 1/20 0.35
MAOB P27338 1/20 0.35
KMT2A Q03164 1/20 0.35

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) PTGS2CYP19A1TLR9PTGS1ABCB1
SCHEMBL6137889 0.85 PTGS2 (0.51) PTGS2CYP19A1TLR9PTGS1
SCHEMBL3670074 0.80 TLR9 (0.50) PTGS2CYP19A1TLR9PTGS1MAPT
SCHEMBL6431521 0.76 PTGS2 (0.51) PTGS2CYP19A1ALOX5TLR9PTGS1
SCHEMBL6431529 0.76 PTGS2 (0.51) PTGS2CYP19A1ALOX5TLR9PTGS1
SCHEMBL4260783 0.75 MAPT (0.51) PTGS2CYP19A1ALOX5TLR9PTGS1
SCHEMBL4260782 0.75 MAPT (0.51) PTGS2CYP19A1ALOX5TLR9PTGS1
SCHEMBL4255525 0.70 MAPT (0.53) PTGS2CYP19A1ALOX5TLR9PTGS1
SCHEMBL3671688 0.70 ALOX5 (0.62) PTGS2CYP19A1ALOX5TLR9PTGS1
SCHEMBL4255529 0.70 MAPT (0.53) PTGS2CYP19A1ALOX5TLR9PTGS1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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