SCHEMBL8107876

SCHEMBL8107876

COc1cc(CNC(=O)c2nc3ccc(F)c(OCCO)c3c(=O)[nH]2)ccc1F

nearest known ligand 0.72

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
MMP13 P45452 20/20 0.72
MMP10 P09238 8/20 0.72
MMP8 P22894 8/20 0.72
MMP2 P08253 1/20 0.64
MMP3 P08254 1/20 0.64

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
SCHEMBL4934527 0.88 MMP13 (0.82) MMP13MMP10MMP8MMP2MMP3
SCHEMBL8109228 0.88 MMP13 (0.72) MMP13MMP10MMP8MMP2MMP3
SCHEMBL4926424 0.87 MMP13 (0.70) MMP13MMP10MMP8MMP2MMP3
SCHEMBL942396 0.86 MMP13 (0.61) MMP13MMP10MMP8MMP2MMP3
SCHEMBL4935921 0.86 MMP13 (0.78) MMP13MMP10MMP8MMP2MMP3
SCHEMBL944678 0.86 MMP13 (0.61) MMP13MMP10MMP8MMP2MMP3
SCHEMBL942256 0.86 MMP13 (0.59) MMP13MMP10MMP8MMP2MMP3
SCHEMBL943883 0.86 MMP13 (0.59) MMP13MMP10MMP8MMP2MMP3
SCHEMBL941833 0.85 MMP13 (0.58) MMP13MMP10MMP8MMP2MMP3
SCHEMBL943314 0.85 MMP13 (0.57) MMP13MMP10MMP8MMP2MMP3

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-2008149191-A1 HETERO BICYCLIC CARBOXAMIDE DERIVATIVES AND THEIR PHARMACEUTICAL USE AND COMPOSITIONS PFIZER INC. (US) 2008-12-11 WO disclosed