SCHEMBL5554636

SCHEMBL5554636

COc1c(F)cc2c(c(OC(C)=O)c(C)n2C(=O)c2ccc(OC(F)F)cc2)c1C(C)C

nearest known ligand 0.39

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.36
AKR1C3 P42330 3/20 0.36
AKR1C2 P52895 2/20 0.36
PPARG P37231 7/20 0.35
MEN1 O00255 1/20 0.34
LMNA P02545 1/20 0.34
KMT2A Q03164 1/20 0.34
PTGS2 P35354 2/20 0.34
FPR1 P21462 2/20 0.34
FPR2 P25090 2/20 0.34
PPARA Q07869 2/20 0.34
ALOX15 P16050 1/20 0.33
GFER P55789 1/20 0.33
ADAM17 P78536 1/20 0.33

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 0.91 PPARG (0.36) POLBAKR1C3AKR1C2PPARGPTGS2
SCHEMBL5558706 0.91 PPARG (0.36) POLBAKR1C3AKR1C2PPARGPTGS2
SCHEMBL5554459 0.90 PPARG (0.38) POLBAKR1C3AKR1C2PPARGMEN1
SCHEMBL5554806 0.83 CNR2 (0.36) POLBAKR1C3AKR1C2MEN1LMNA
SCHEMBL5559997 0.83 PPARG (0.33) AKR1C3AKR1C2PPARGLMNAKMT2A
SCHEMBL5558223 0.79 PTGS2 (0.35) AKR1C3AKR1C2PTGS2
SCHEMBL5560625 0.78 MAPT (0.37) POLBAKR1C3AKR1C2PPARGMEN1
SCHEMBL5554632 0.78 PTGS1 (0.39) AKR1C3AKR1C2PPARGMEN1LMNA
SCHEMBL5558850 0.77 AKR1C3 (0.40) AKR1C3AKR1C2LMNAPTGS2
SCHEMBL5554036 0.76 PTGS2 (0.42) AKR1C3AKR1C2PPARGPTGS2

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