SCHEMBL5822002

SCHEMBL5822002

COc1ccc2c(c1)c(OC(C)=O)c(C)n2C(=O)c1cccc(Cl)c1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CNR2 P34972 2/20 0.58
CNR1 P21554 1/20 0.58
PPARG P37231 2/20 0.52
PTGS2 P35354 7/20 0.51
PTGS1 P23219 4/20 0.51
AKR1C3 P42330 4/20 0.51
AKR1C2 P52895 3/20 0.51
LMNA P02545 2/20 0.51
CYP1A2 P05177 2/20 0.51
CYP2D6 P10635 2/20 0.51
CYP2C9 P11712 2/20 0.51
HIF1A Q16665 2/20 0.51
NPSR1 Q6W5P4 2/20 0.51
TSHR P16473 1/20 0.51
NFKB1 P19838 1/20 0.51
KDM4E B2RXH2 1/20 0.51
MEN1 O00255 1/20 0.51
PTGES O14684 1/20 0.51
ABCC3 O15438 1/20 0.51
ABCC4 O15439 1/20 0.51

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
SCHEMBL1076364 0.88 PTGS2 (0.65) CNR2PPARGPTGS2PTGS1AKR1C3
SCHEMBL8579955 0.88 LMNA (0.65) PPARGPTGS2PTGS1AKR1C3AKR1C2
SCHEMBL11436509 0.87 PTGS2 (0.64) CNR2PPARGPTGS2PTGS1AKR1C3
SCHEMBL6025282 0.87 PTGS1 (0.47) CNR2CNR1PPARGPTGS2PTGS1
SCHEMBL5799148 0.86 PTGS2 (0.52) CNR2PPARGPTGS2PTGS1AKR1C3
Water SCHEMBL11448360 0.86 PTGS2 (0.62) CNR2PPARGPTGS2PTGS1AKR1C3
Water SCHEMBL11448358 0.86 PTGS2 (0.62) CNR2PPARGPTGS2PTGS1AKR1C3
SCHEMBL3252299 0.85 CNR2 (0.56) CNR2CNR1PPARGPTGS2PTGS1
SCHEMBL5797468 0.84 AKR1C3 (0.52) CNR2PPARGPTGS2PTGS1AKR1C3
SCHEMBL3240338 0.83 PTGS1 (0.48) CNR2CNR1PPARGPTGS2PTGS1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1628532-A2 METHODS FOR THE PROTECTION OF MEMORY AND COGNITION Microbia, Inc. (US) 2006-03-01 EP claimed
WO-2004108085-A2 METHODS FOR THE PROTECTION OF MEMORY AND COGNITION MICROBIA, INC. (US) 2004-12-16 WO claimed
WO-2006050120-A2 SYNTHESIS OF COX-2 AND FAAH INHIBITORS MICROBIA, INC. (US) 2006-05-11 WO disclosed
EP-1628532-A2 METHODS FOR THE PROTECTION OF MEMORY AND COGNITION Microbia, Inc. (US) 2006-03-01 EP disclosed
WO-2004108085-A2 METHODS FOR THE PROTECTION OF MEMORY AND COGNITION MICROBIA, INC. (US) 2004-12-16 WO disclosed