SCHEMBL5560927

SCHEMBL5560927

CC(=O)Oc1c(C)n(C(=O)c2ccc(OC(F)F)cc2)c2ccc(O)c(C(C)(C)C)c12

nearest known ligand 0.35

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
GAA P10253 2/20 0.35
TP53 P04637 1/20 0.35
ALOX15 P16050 1/20 0.35
GFER P55789 1/20 0.35
ADAM17 P78536 1/20 0.35
KDM4E B2RXH2 1/20 0.34
LMNA P02545 1/20 0.32
TSHR P16473 1/20 0.32
HTT P42858 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
CNR2 P34972 1/20 0.32
AKR1C3 P42330 4/20 0.32
AKR1C2 P52895 3/20 0.32
PPARG P37231 7/20 0.32
PPARA Q07869 3/20 0.32
POLB P06746 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
SCHEMBL5560625 0.82 MAPT (0.37) KDM4ELMNASMN1; SMN2CNR2AKR1C3
SCHEMBL5560462 0.82 PTGS2 (0.34) ALOX15GFERADAM17KDM4EHTT
SCHEMBL5558544 0.82 PTGS2 (0.34) ALOX15GFERADAM17KDM4EHTT
SCHEMBL5559110 0.80 MAOB (0.35) AKR1C3AKR1C2
SCHEMBL5554445 0.75 PPARG (0.37) AKR1C3AKR1C2PPARGPPARA
SCHEMBL5554636 0.72 POLB (0.36) ALOX15GFERADAM17LMNAAKR1C3
SCHEMBL5559588 0.72 PTGS1 (0.36) KDM4ELMNAAKR1C3AKR1C2PPARG
SCHEMBL5559997 0.72 PPARG (0.33) ALOX15GFERADAM17LMNATSHR
SCHEMBL27768503 0.72
SCHEMBL5799149 0.72 AKR1C3 (0.43) GAAKDM4ELMNACNR2AKR1C3

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