SCHEMBL5559997

SCHEMBL5559997

CC[C@H](C)c1c(O)c(F)cc2c1c(OC(C)=O)c(C)n2C(=O)c1ccc(OC(F)F)cc1

nearest known ligand 0.35

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
PPARG P37231 5/20 0.33
PTGS2 P35354 3/20 0.33
AKR1C3 P42330 1/20 0.33
AKR1C2 P52895 1/20 0.33
PPARA Q07869 2/20 0.32
ALOX15 P16050 1/20 0.32
GFER P55789 1/20 0.32
ADAM17 P78536 1/20 0.32
HTT P42858 2/20 0.32
LMNA P02545 1/20 0.32
TSHR P16473 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
KMT2A Q03164 1/20 0.31

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
SCHEMBL5558485 0.90 PPARG (0.36) PPARGPTGS2AKR1C3AKR1C2PPARA
SCHEMBL5558706 0.90 PPARG (0.36) PPARGPTGS2AKR1C3AKR1C2PPARA
SCHEMBL5558629 0.90 AKR1C3 (0.37) PTGS2AKR1C3AKR1C2
SCHEMBL5560071 0.88 PTGS2 (0.39) PTGS2AKR1C3AKR1C2
SCHEMBL5558659 0.88 PTGS2 (0.39) PTGS2AKR1C3AKR1C2
SCHEMBL5554427 0.87 MEN1 (0.32) PTGS2KMT2A
SCHEMBL5554230 0.87 AKR1C3 (0.39) PPARGAKR1C3AKR1C2PPARA
SCHEMBL5554255 0.87 AKR1C3 (0.39) PPARGAKR1C3AKR1C2PPARA
SCHEMBL5560462 0.86 PTGS2 (0.34) PPARGPTGS2AKR1C3AKR1C2PPARA
SCHEMBL5558544 0.86 PTGS2 (0.34) PPARGPTGS2AKR1C3AKR1C2PPARA

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