SCHEMBL5559111

SCHEMBL5559111

CCc1c(O)c(Cl)cc2c1c(OC(C)=O)c(C)n2C(=O)c1ccc(OC(F)(F)F)cc1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PPARG P37231 7/20 0.40
PTGS1 P23219 3/20 0.38
PTGS2 P35354 7/20 0.37
AKR1C3 P42330 4/20 0.37
AKR1C2 P52895 3/20 0.37
PPARA Q07869 2/20 0.37
ABCB1 P08183 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
ABCB11 O95342 1/20 0.37
MT-CO2 P00403 1/20 0.37
LMNA P02545 1/20 0.37
ALB P02768 1/20 0.37
CYP1A2 P05177 1/20 0.37
ALOX5 P09917 1/20 0.37
ADORA3 P0DMS8 1/20 0.37
CXCL8 P10145 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
SCHEMBL5560242 0.82 PPARG (0.37) PPARGPTGS2AKR1C3AKR1C2PPARA
SCHEMBL5553908 0.81 PPARG (0.36) PPARGPTGS2AKR1C3AKR1C2PPARA
SCHEMBL5559588 0.80 PTGS1 (0.36) PPARGPTGS1PTGS2AKR1C3AKR1C2
SCHEMBL5560793 0.80 HDAC3 (0.36) PPARGPTGS2PPARA
SCHEMBL5558561 0.78 PTGS2 (0.38) PTGS1PTGS2
SCHEMBL5554632 0.78 PTGS1 (0.39) PPARGPTGS1PTGS2AKR1C3AKR1C2
SCHEMBL5559446 0.77 MAPK7 (0.39) PPARGPTGDR2
SCHEMBL5558909 0.77 MAPK7 (0.39) PPARGPTGS2
SCHEMBL5554445 0.76 PPARG (0.37) PPARGAKR1C3AKR1C2PPARA
SCHEMBL5553805 0.75 HRH3 (0.35) PPARGPTGS2AKR1C3AKR1C2RAB9A

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-1643961-A4 COX-2 AND FAAH INHIBITORS MICROBIA INC (US) 2007-09-12 EP disclosed
EP-1643961-A2 COX-2 AND FAAH INHIBITORS Microbia, Inc. (US) 2006-04-12 EP disclosed
WO-2005002525-A2 COX-2 AND FAAH INHIBITORS MICROBIA, INC. (US) 2005-01-13 WO disclosed