SCHEMBL5797216

SCHEMBL5797216

Cc1c(C(C)C(=O)OC(C)(C)C)c2cc(O)ccc2n1C(=O)c1ccc(Cl)c(Cl)c1

nearest known ligand 0.44

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 9/20 0.44
PTGS1 P23219 3/20 0.44
APP P05067 1/20 0.35
TSHR P16473 1/20 0.35

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
SCHEMBL5822629 0.91 PTGS2 (0.42) PTGS2PTGS1APP
SCHEMBL6425175 0.90 PTGS2 (0.56) PTGS2PTGS1
SCHEMBL6425088 0.90 PTGS2 (0.56) PTGS2PTGS1
SCHEMBL5800804 0.90 PTGS2 (0.56) PTGS2PTGS1
SCHEMBL5799402 0.89 PTGS2 (0.47) PTGS2PTGS1TSHR
SCHEMBL5799396 0.89 PTGS2 (0.47) PTGS2PTGS1TSHR
SCHEMBL5811244 0.87 PTGS2 (0.44) PTGS2PTGS1APP
SCHEMBL5553789 0.86 PTGS2 (0.51) PTGS2PTGS1
SCHEMBL5554413 0.86 PTGS2 (0.51) PTGS2PTGS1
SCHEMBL5553785 0.86 PTGS2 (0.51) PTGS2PTGS1

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2006050120-A2 SYNTHESIS OF COX-2 AND FAAH INHIBITORS MICROBIA, INC. (US) 2006-05-11 WO disclosed