SCHEMBL1069734

SCHEMBL1069734

COCC(C)C(C(=O)Nc1cccc(C2CCN(C(C)(C)C)[C@@H]2C(=O)O)c1C)c1ccc(CN2N=C(c3ccccc3)OCC2=O)cc1

nearest known ligand 0.33

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 5/20 0.33
PTGES O14684 2/20 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
SCHEMBL3697908 0.81 PTGES (0.36) PTGS2PTGES
SCHEMBL1078521 0.81 PTGES (0.49) PTGS2PTGES
SCHEMBL1178914 0.80 PTGES (0.41) PTGS2PTGES
SCHEMBL1069735 0.78 PTGS2 (0.33) PTGS2PTGES
SCHEMBL1082289 0.77 PTGS2 (0.35) PTGS2PTGES
SCHEMBL3701817 0.76 KMT2A (0.35)
SCHEMBL3691767 0.75 KMT2A (0.32)
SCHEMBL1081430 0.74 PTGES (0.40) PTGES
SCHEMBL1082090 0.73 PTGES (0.58) PTGS2PTGES
SCHEMBL3694861 0.73 PTGS2 (0.37) PTGS2PTGES

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2268625-A1 OXO-HETEROCYCLIC SUBSTITUTED CARBOXYLIC ACID DERIVATES AND THE USE THEREOF Bayer Schering Pharma Aktiengesellschaft (DE) 2011-01-05 EP disclosed
WO-2009127338-A1 OXO-HETEROCYCLIC SUBSTITUTED CARBOXYLIC ACID DERIVATES AND THE USE THEREOF BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) 2009-10-22 WO disclosed