SCHEMBL2245609

SCHEMBL2245609

NC(=O)CC[C@H](NC(=O)c1ccc(-c2ccc(O)cc2)cc1)C(=O)O

nearest known ligand 0.66

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
CA2 P00918 8/20 0.66
CA1 P00915 5/20 0.66
MMP2 P08253 2/20 0.50
MMP9 P14780 2/20 0.50
C3AR1 Q16581 1/20 0.48
HPGDS O60760 4/20 0.48
KMT2A Q03164 1/20 0.48
MMP12 P39900 1/20 0.47
KDM4E B2RXH2 1/20 0.47
HPGD P15428 1/20 0.47
FOLH1 Q04609 2/20 0.46

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
SCHEMBL2246061 0.92 CA2 (0.69) CA2CA1MMP2MMP9C3AR1
SCHEMBL2245325 0.92 CA2 (0.69) CA2CA1MMP2MMP9C3AR1
SCHEMBL2249747 0.86 CA2 (0.63) CA2CA1MMP2MMP9C3AR1
SCHEMBL4621821 0.86 CA2 (0.63) CA2CA1MMP2MMP9C3AR1
SCHEMBL2249692 0.85 CA2 (0.62) CA2CA1MMP2MMP9C3AR1
SCHEMBL2246508 0.84 CA2 (0.60) CA2CA1MMP2MMP9C3AR1
SCHEMBL2246705 0.84 CA2 (0.60) CA2CA1MMP2MMP9C3AR1
SCHEMBL2247873 0.84 CA2 (0.60) CA2CA1MMP2MMP9C3AR1
SCHEMBL27520712 0.84 CA2 (0.71) CA2CA1C3AR1KMT2AFOLH1
SCHEMBL3822939 0.84 CA2 (0.71) CA2CA1C3AR1KMT2AFOLH1

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
US-7998965-B2 Glutamate aggrecanase inhibitors WYETH LLC (US) 2011-08-16 US disclosed