SCHEMBL5560446

SCHEMBL5560446

CC[C@@H](C)c1c(F)c(O)c(F)c2c(OC(C)=O)c(C)n(C(=O)c3ccc(OC(F)(F)F)cc3)c12

nearest known ligand 0.39

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 4/20 0.39
EPHX2 P34913 2/20 0.35
POLB P06746 1/20 0.34
PPARG P37231 10/20 0.33
PPARA Q07869 3/20 0.33
TRPV1 Q8NER1 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
SCHEMBL5553805 0.85 HRH3 (0.35) HRH3EPHX2PPARG
SCHEMBL5560361 0.83 IDO1 (0.30)
SCHEMBL5560554 0.82 HRH3 (0.40) HRH3EPHX2PPARGPPARATRPV1
SCHEMBL5559328 0.82 HRH3 (0.40) HRH3EPHX2PPARGPPARATRPV1
SCHEMBL5560242 0.77 PPARG (0.37) PPARGPPARA
SCHEMBL5553908 0.76 PPARG (0.36) HRH3PPARGPPARA
SCHEMBL5560793 0.75 HDAC3 (0.36) PPARGPPARA
SCHEMBL5554445 0.75 PPARG (0.37) HRH3PPARGPPARA
SCHEMBL5559111 0.73 PPARG (0.40) PPARGPPARA
SCHEMBL5554230 0.73 AKR1C3 (0.39) EPHX2PPARGPPARA

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