SCHEMBL27748367

SCHEMBL27748367

COC(=O)Cc1ccc(Cl)cc1CN1CCN(S(=O)(=O)c2ccccc2)[C@@H](C)C1

nearest known ligand 0.69

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
PTGDR2 Q9Y5Y4 18/20 0.69
HSD11B1 P28845 1/20 0.45
MMP1 P03956 1/20 0.44
MMP3 P08254 1/20 0.44
MMP7 P09237 1/20 0.44
MMP9 P14780 1/20 0.44
MMP13 P45452 1/20 0.44

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
SCHEMBL4939937 0.91 PTGDR2 (0.67) PTGDR2HSD11B1MMP1MMP3MMP7
SCHEMBL4940788 0.91 PTGDR2 (0.76) PTGDR2HSD11B1
SCHEMBL14026611 0.85 PTGDR2 (0.71) PTGDR2HSD11B1
SCHEMBL4940321 0.83 PTGDR2 (0.64) PTGDR2
SCHEMBL27712886 0.83 PTGDR2 (0.71) PTGDR2HSD11B1
SCHEMBL27712890 0.83 PTGDR2 (0.71) PTGDR2HSD11B1
SCHEMBL27693139 0.83 PTGDR2 (0.71) PTGDR2HSD11B1
SCHEMBL4942895 0.83 PTGDR2 (0.65) PTGDR2HSD11B1
SCHEMBL27748368 0.83 PTGDR2 (0.76) PTGDR2
SCHEMBL5199825 0.82 PTGDR2 (0.78) PTGDR2

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
CN-101356164-A Novel compounds ASTRAZENECA AB (SE) 2009-01-28 CN disclosed