SCHEMBL8978311

SCHEMBL8978311

COC(=O)CC(=O)Cc1c(C)n(C(=O)c2ccc(Cl)cc2)c2ccc(OC)cc12

nearest known ligand 0.86

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 15/20 0.86
AKR1C3 P42330 3/20 0.86
CNR2 P34972 1/20 0.86
PTGS1 P23219 4/20 0.77
MAPT P10636 2/20 0.77
KMT2A Q03164 2/20 0.77
GLO1 Q04760 2/20 0.77
HIF1A Q16665 2/20 0.77
NPSR1 Q6W5P4 2/20 0.77
KDM4E B2RXH2 1/20 0.77
MEN1 O00255 1/20 0.77
PTGES O14684 1/20 0.77
ABCC3 O15438 1/20 0.77
ABCC4 O15439 1/20 0.77
ABCB11 O95342 1/20 0.77
MT-CO2 P00403 1/20 0.77
LMNA P02545 1/20 0.77
ALB P02768 1/20 0.77
CYP1A2 P05177 1/20 0.77
ABCB1 P08183 1/20 0.77

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
SCHEMBL8978246 0.93 PTGS2 (0.85) PTGS2AKR1C3CNR2PTGS1MAPT
SCHEMBL14086813 0.93 PTGS2 (1.00) PTGS2AKR1C3CNR2PTGS1MAPT
SCHEMBL30426824 0.93 PTGS2 (1.00) PTGS2AKR1C3CNR2PTGS1MAPT
SCHEMBL13653015 0.90 PTGS2 (0.80) PTGS2AKR1C3CNR2PTGS1MAPT
SCHEMBL14031839 0.89 PTGS2 (0.84) PTGS2AKR1C3CNR2PTGS1MAPT
SCHEMBL8609969 0.89 PTGS2 (0.79) PTGS2AKR1C3CNR2PTGS1MAPT
SCHEMBL11092811 0.89 PTGS2 (0.88) PTGS2AKR1C3CNR2PTGS1MAPT
SCHEMBL5534201 0.87 PTGS2 (0.84) PTGS2AKR1C3CNR2PTGS1MAPT
SCHEMBL15774078 0.87 PTGS2 (0.84) PTGS2AKR1C3CNR2PTGS1MAPT
SCHEMBL14394799 0.87 PTGS2 (0.84) PTGS2AKR1C3CNR2PTGS1MAPT

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