SCHEMBL5558561

SCHEMBL5558561

CCCCc1c(O)c(Cl)cc2c1c(OC(C)=O)c(C)n2C(=O)c1ccc(Br)cc1

nearest known ligand 0.38

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 10/20 0.38
PTGS1 P23219 3/20 0.36

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
SCHEMBL5559588 0.82 PTGS1 (0.36) PTGS2PTGS1
SCHEMBL5554179 0.80 PTGS2 (0.45) PTGS2PTGS1
SCHEMBL5553729 0.79 PTGS2 (0.44) PTGS2PTGS1
SCHEMBL5560456 0.78 PTGS2 (0.41) PTGS2PTGS1
SCHEMBL5559111 0.78 PPARG (0.40) PTGS2PTGS1
SCHEMBL5554036 0.77 PTGS2 (0.42) PTGS2PTGS1
SCHEMBL5554594 0.75 SRC (0.36) PTGS2
SCHEMBL5559081 0.73 PTGS1 (0.43) PTGS2PTGS1
SCHEMBL5553652 0.73 PTGS2 (0.37) PTGS2PTGS1
SCHEMBL5560793 0.72 HDAC3 (0.36) PTGS2

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