SCHEMBL8072489

SCHEMBL8072489

Cc1cc(-c2nnn(C[C@H]3CC[C@H](NC(=O)C(C)(C)O)CC3)n2)cc(C(=O)O)n1

nearest known ligand 0.55

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
MMP13 P45452 20/20 0.55
SLC22A8 Q8TCC7 1/20 0.52

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
SCHEMBL27792564 0.92 MMP13 (0.52) MMP13SLC22A8
SCHEMBL8067113 0.91 MMP13 (0.56) MMP13SLC22A8
SCHEMBL3691303 0.89 MMP13 (0.64) MMP13SLC22A8
SCHEMBL8066370 0.89 MMP13 (0.64) MMP13SLC22A8
SCHEMBL8071049 0.87 MMP13 (0.54) MMP13SLC22A8
SCHEMBL8067352 0.85 MMP13 (0.59) MMP13SLC22A8
SCHEMBL3805358 0.83 MMP13 (0.71) MMP13SLC22A8
SCHEMBL3805364 0.83 MMP13 (0.71) MMP13SLC22A8
SCHEMBL8073496 0.83 MMP13 (0.66) MMP13SLC22A8
SCHEMBL3807119 0.83 MMP13 (0.66) MMP13SLC22A8

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
WO-2009016498-A1 PYRIMIDINE AND PYRIDINE DERIVATIVES AND THEIR PHARMACEUTICAL USE AND COMPOSITIONS PFIZER INC. (US) 2009-02-05 WO disclosed