SCHEMBL20054857

SCHEMBL20054857

COc1ccc(-c2noc(CC=O)c2-c2ccc(OC)cc2)cc1

nearest known ligand 0.68

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 9/20 0.68
PTGS1 P23219 1/20 0.65
PDE3A Q14432 1/20 0.65

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
SCHEMBL13241360 0.82 PTGS2 (0.75) PTGS2PTGS1PDE3A
SCHEMBL20904217 0.81 PTGS2 (0.74) PTGS2PTGS1PDE3A
SCHEMBL11099601 0.81 PTGS2 (0.73) PTGS2PTGS1PDE3A
SCHEMBL9123885 0.81 PTGS2 (0.73) PTGS2PTGS1PDE3A
SCHEMBL9181299 0.81 PTGS2 (0.73) PTGS2PTGS1PDE3A
SCHEMBL13890455 0.79 PTGS2 (0.80) PTGS2PTGS1PDE3A
Mofezolac SCHEMBL151701 0.79 PTGS2 (1.00) PTGS2PTGS1PDE3A
SCHEMBL9124091 0.78 PTGS2 (0.74) PTGS2PTGS1PDE3A
SCHEMBL9122616 0.78 PTGS2 (1.00) PTGS2PTGS1PDE3A
SCHEMBL13220681 0.78 PTGS2 (0.69) PTGS2PTGS1PDE3A

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
EP-2863921-B1 POLYMER-NSAID CONJUGATE POLYACTIVA PTY LTD (AU) 2018-04-18 EP disclosed