SCHEMBL8071049

SCHEMBL8071049

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

nearest known ligand 0.54

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
MMP13 P45452 20/20 0.54
SLC22A8 Q8TCC7 1/20 0.51
MMP3 P08254 1/20 0.49

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
SCHEMBL8056933 0.92 MMP13 (0.56) MMP13SLC22A8MMP3
SCHEMBL8071155 0.89 MMP13 (0.56) MMP13SLC22A8MMP3
SCHEMBL8066370 0.88 MMP13 (0.64) MMP13SLC22A8MMP3
SCHEMBL3691303 0.88 MMP13 (0.64) MMP13SLC22A8MMP3
SCHEMBL8072489 0.87 MMP13 (0.55) MMP13SLC22A8
SCHEMBL3808553 0.86 MMP13 (0.54) MMP13SLC22A8MMP3
SCHEMBL3808560 0.86 MMP13 (0.54) MMP13SLC22A8MMP3
SCHEMBL3686247 0.84 MMP13 (0.52) MMP13SLC22A8MMP3
SCHEMBL8067352 0.84 MMP13 (0.59) MMP13SLC22A8MMP3
SCHEMBL8056130 0.82 MMP13 (0.76) 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