SCHEMBL3459558

SCHEMBL3459558

CC(C)(C)OC(=O)N(CC(=O)O)c1cccc(C(N)C(c2ccc(-c3ncccn3)cc2)S(=O)(=O)c2ccccn2)n1

nearest known ligand 0.32

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
PTGER2 P43116 7/20 0.32
F2 P00734 2/20 0.31
POLB P06746 1/20 0.31
KCNA5 P22460 1/20 0.30
GAA P10253 1/20 0.30

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
SCHEMBL3459405 0.87 PPARA (0.34)
SCHEMBL533871 0.84 PTGER2 (0.35) PTGER2F2POLBKCNA5
SCHEMBL533417 0.82 PTGER2 (0.35) PTGER2F2
SCHEMBL533415 0.78 PTGER2 (0.34) PTGER2F2
SCHEMBL533416 0.76 PTGER2 (0.56) PTGER2
SCHEMBL535045 0.74 PTGER2 (0.40) PTGER2
SCHEMBL3458496 0.73 ADRB2 (0.35) PTGER2F2
SCHEMBL6525295 0.72 PTGER2 (0.34) PTGER2
SCHEMBL3458633 0.72 PTGER2 (0.34) PTGER2F2
SCHEMBL533872 0.71 L3MBTL1 (0.48) PTGER2F2POLB

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-2264009-A1 PYRIDYLAMINOACETIC ACID COMPOUND Ube Industries, Ltd. (JP) 2010-12-22 EP disclosed