SCHEMBL6025591

SCHEMBL6025591

CC(=O)Oc1c(C)n(C(=O)c2ccc(Cl)c(Cl)c2)c2ccc(O)cc12

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 7/20 0.48
PTGS1 P23219 6/20 0.48
ABCB11 O95342 2/20 0.41
AKR1C3 P42330 2/20 0.37
LMNA P02545 2/20 0.37
KDM4E B2RXH2 1/20 0.37
MEN1 O00255 1/20 0.37
PTGES O14684 1/20 0.37
ABCC3 O15438 1/20 0.37
ABCC4 O15439 1/20 0.37
MT-CO2 P00403 1/20 0.37
ALB P02768 1/20 0.37
CYP1A2 P05177 1/20 0.37
ABCB1 P08183 1/20 0.37
ALOX5 P09917 1/20 0.37
ADORA3 P0DMS8 1/20 0.37
CXCL8 P10145 1/20 0.37
AR P10275 1/20 0.37
CYP2D6 P10635 1/20 0.37
MAPT P10636 1/20 0.37

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
SCHEMBL5800412 0.90 PTGS2 (0.46) PTGS2PTGS1ABCB11AKR1C3LMNA
SCHEMBL5799148 0.87 PTGS2 (0.52) PTGS2PTGS1ABCB11AKR1C3LMNA
SCHEMBL6025282 0.85 PTGS1 (0.47) PTGS2PTGS1ABCB11LMNAALOX5
SCHEMBL5799040 0.84 PTGS2 (0.46) PTGS2PTGS1AKR1C3LMNAKDM4E
SCHEMBL5558582 0.84 PTGS2 (0.47) PTGS2PTGS1AKR1C3LMNAAKR1C2
SCHEMBL5560264 0.84 PTGS2 (0.35) PTGS2PTGS1ABCB11AKR1C3KDM4E
SCHEMBL6026386 0.82 HIF1A (0.65) PTGS2PTGS1ABCB11AKR1C3LMNA
SCHEMBL5553721 0.82 AKR1C3 (0.44) PTGS2PTGS1AKR1C3LMNAKDM4E
SCHEMBL6025157 0.81 PTGS1 (0.45) PTGS2PTGS1ABCB11LMNAMEN1
SCHEMBL6025108 0.80 CNR2 (0.47) PTGS2PTGS1LMNAKDM4EMEN1

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 2 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 disclosed
WO-2004108085-A2 METHODS FOR THE PROTECTION OF MEMORY AND COGNITION MICROBIA, INC. (US) 2004-12-16 WO disclosed