SCHEMBL5559074

SCHEMBL5559074

Cc1c(C(C)C(=O)OC2CCCC2)c2c(F)c(O)c(F)cc2n1C(=O)c1ccc(OC(F)(F)F)cc1

nearest known ligand 0.40

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 2/20 0.40
PDE4B Q07343 7/20 0.37
PDE4D Q08499 3/20 0.37
HSD11B1 P28845 1/20 0.36
PPARG P37231 6/20 0.35
KCNQ3 O43525 1/20 0.34
KCNQ2 O43526 1/20 0.34
MGLL Q99685 1/20 0.34
PPARA Q07869 1/20 0.34

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
SCHEMBL5554125 0.98 PTGS2 (0.38) PTGS2PDE4BPDE4DHSD11B1PPARG
SCHEMBL5801005 0.89 PTGS2 (0.44) PTGS2
SCHEMBL5800052 0.88 PTGS2 (0.39) PTGS2PDE4BPDE4DHSD11B1PPARG
SCHEMBL5796692 0.87 PTGS2 (0.37) PTGS2HSD11B1MGLL
SCHEMBL5559471 0.87 PTGS2 (0.42) PTGS2
SCHEMBL5813198 0.87 PTGS2 (0.41) PTGS2PDE4BPDE4DHSD11B1PPARG
SCHEMBL5801148 0.87 HSD11B1 (0.38) PTGS2PDE4BPDE4DHSD11B1PPARG
SCHEMBL5560483 0.86 PPARG (0.36) PTGS2PPARGPPARA
SCHEMBL5559153 0.86 TSHR (0.36) PTGS2HSD11B1
SCHEMBL5801342 0.85 PTGS2 (0.35) PTGS2HSD11B1MGLL

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