SCHEMBL6137889

SCHEMBL6137889

COC(OC)Oc1ccc(C=Cc2ccc([N+](=O)[O-])cc2)cc1CC=C(C)C

nearest known ligand 0.51

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 8/20 0.51
CYP19A1 P11511 3/20 0.51
AKR1C3 P42330 9/20 0.45
AKR1C2 P52895 9/20 0.45
TLR9 Q9NR96 1/20 0.44
PTGS1 P23219 3/20 0.43
AKR1C4 P17516 1/20 0.41

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 0.91 PTGS2 (0.51) PTGS2CYP19A1AKR1C3AKR1C2TLR9
SCHEMBL6138215 0.85 PTGS2 (0.42) PTGS2CYP19A1TLR9PTGS1
SCHEMBL3670074 0.83 TLR9 (0.50) PTGS2CYP19A1TLR9PTGS1
SCHEMBL3671690 0.78 ALOX5 (0.62) PTGS2CYP19A1AKR1C3TLR9PTGS1
SCHEMBL3671688 0.78 ALOX5 (0.62) PTGS2CYP19A1AKR1C3TLR9PTGS1
SCHEMBL6431521 0.77 PTGS2 (0.51) PTGS2CYP19A1TLR9PTGS1
SCHEMBL6431529 0.77 PTGS2 (0.51) PTGS2CYP19A1TLR9PTGS1
SCHEMBL4257028 0.75 PTGS2 (0.52) PTGS2CYP19A1AKR1C3AKR1C2TLR9
SCHEMBL4257024 0.75 PTGS2 (0.52) PTGS2CYP19A1AKR1C3AKR1C2TLR9
SCHEMBL6138261 0.75 AKR1C3 (0.43) PTGS2CYP19A1AKR1C3AKR1C2PTGS1

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