SCHEMBL5558544

SCHEMBL5558544

CC[C@@H](C)c1c(O)ccc2c1c(OC(C)=O)c(C)n2C(=O)c1ccc(OC(F)F)cc1

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 2/20 0.34
ALOX15 P16050 1/20 0.33
GFER P55789 1/20 0.33
ADAM17 P78536 1/20 0.33
PPARG P37231 6/20 0.33
PPARA Q07869 3/20 0.33
KMT2A Q03164 1/20 0.33
KDM4E B2RXH2 1/20 0.32
AKR1C3 P42330 2/20 0.32
AKR1C2 P52895 2/20 0.32
HTT P42858 1/20 0.32
HDAC3 O15379 1/20 0.32
HDAC4 P56524 1/20 0.32
HDAC1 Q13547 1/20 0.32
HDAC7 Q8WUI4 1/20 0.32
HDAC2 Q92769 1/20 0.32
HDAC10 Q969S8 1/20 0.32
HDAC11 Q96DB2 1/20 0.32
HDAC8 Q9BY41 1/20 0.32
HDAC6 Q9UBN7 1/20 0.32

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
SCHEMBL5560462 1.00 PTGS2 (0.34) PTGS2ALOX15GFERADAM17PPARG
SCHEMBL5560554 0.88 HRH3 (0.40) PTGS2PPARGPPARAAKR1C3AKR1C2
SCHEMBL5559328 0.88 HRH3 (0.40) PTGS2PPARGPPARAAKR1C3AKR1C2
SCHEMBL5798576 0.87 PTGS2 (0.41) PTGS2PPARGKMT2AKDM4EAKR1C3
SCHEMBL5554254 0.87 PTGS2 (0.34) PTGS2KMT2AAKR1C3AKR1C2
SCHEMBL5559997 0.86 PPARG (0.33) PTGS2ALOX15GFERADAM17PPARG
SCHEMBL5558485 0.84 PPARG (0.36) PTGS2PPARGPPARAAKR1C3AKR1C2
SCHEMBL5558706 0.84 PPARG (0.36) PTGS2PPARGPPARAAKR1C3AKR1C2
SCHEMBL5560599 0.82 LMNA (0.39) KMT2AKDM4EAKR1C3AKR1C2HTT
SCHEMBL5560927 0.82 GAA (0.35) ALOX15GFERADAM17PPARGPPARA

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