SCHEMBL8978411

SCHEMBL8978411

CCCCCOC(=O)CC(=O)Cc1c(C)n(C(=O)c2ccc(Cl)c(Cl)c2)c2ccc(OC)cc12

nearest known ligand 0.74

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 14/20 0.74
AKR1C3 P42330 3/20 0.59
CNR2 P34972 1/20 0.59
AKR1C2 P52895 1/20 0.56

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
SCHEMBL8978267 0.92 PTGS2 (0.70) PTGS2AKR1C3CNR2AKR1C2
SCHEMBL8978246 0.83 PTGS2 (0.85) PTGS2AKR1C3CNR2AKR1C2
SCHEMBL2007480 0.82 AKR1C3 (0.80) PTGS2AKR1C3CNR2AKR1C2
SCHEMBL8978311 0.80 PTGS2 (0.86) PTGS2AKR1C3CNR2AKR1C2
SCHEMBL8978281 0.80 PTGS2 (0.65) PTGS2AKR1C3CNR2AKR1C2
SCHEMBL8978206 0.79 PTGS2 (0.75) PTGS2AKR1C3CNR2AKR1C2
SCHEMBL29113899 0.79 PTGS2 (0.85) PTGS2AKR1C3CNR2
SCHEMBL8879886 0.79 PTGS2 (0.87) PTGS2AKR1C3CNR2
SCHEMBL13813542 0.78 PTGS2 (1.00) PTGS2AKR1C3CNR2AKR1C2
SCHEMBL20349623 0.78 PTGS2 (0.79) PTGS2AKR1C3CNR2AKR1C2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5484940-A ULTRAVIOLET RADIATION ABSORBERS FOR PLASTICS, AMYLOID PEPTIDE INHIBITORS, ALZHEIMER*S DISEASE ATHENA NEUROSCIENCES, INC. 1996-01-16 US disclosed