SCHEMBL4221925

SCHEMBL4221925

Cc1c(C(=O)OC(C)(C)C)ccc2c1CCC2NC(=O)c1cc(C(=O)NCc2ccc(F)c(F)c2)nc2c(I)cnn12

nearest known ligand 0.65

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MMP13 P45452 7/20 0.65
ADAMTS4 O75173 2/20 0.65
MMP3 P08254 2/20 0.65
MMP8 P22894 1/20 0.48
MMP12 P39900 1/20 0.48
TP53 P04637 3/20 0.34
MET P08581 1/20 0.33
KLKB1 P03952 1/20 0.33
CACNA1G O43497 1/20 0.33
CACNA1H O95180 1/20 0.33
CACNA1I Q9P0X4 1/20 0.33
TRPV1 Q8NER1 1/20 0.32
CXCR3 P49682 1/20 0.31
ALDH1A1 P00352 1/20 0.31
LMNA P02545 1/20 0.31
MAPK1 P28482 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31

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
SCHEMBL4218242 1.00 MMP13 (0.65) MMP13ADAMTS4MMP3MMP8MMP12
SCHEMBL10166778 0.94 MMP13 (0.66) MMP13ADAMTS4MMP3MMP8MMP12
SCHEMBL4219902 0.93 MMP13 (0.72) MMP13ADAMTS4MMP3MMP8MMP12
SCHEMBL4219896 0.93 MMP13 (0.72) MMP13ADAMTS4MMP3MMP8MMP12
SCHEMBL5428072 0.92 MMP13 (0.65) MMP13ADAMTS4MMP3MMP8MMP12
SCHEMBL5427943 0.92 MMP13 (0.65) MMP13ADAMTS4MMP3MMP8MMP12
SCHEMBL4223408 0.92 MMP13 (0.67) MMP13ADAMTS4MMP3MMP8MMP12
SCHEMBL10167987 0.92 MMP13 (0.65) MMP13ADAMTS4MMP3MMP8MMP12
SCHEMBL5428067 0.92 MMP13 (0.65) MMP13ADAMTS4MMP3MMP8MMP12
SCHEMBL5431521 0.92 MMP13 (0.65) MMP13ADAMTS4MMP3MMP8MMP12

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2038284-A2 HETEROBICYLIC METALLOPROTEASE INHIBITORS Alantos Pharmaceuticals, Inc. (US) 2009-03-25 EP disclosed
WO-2007139860-A2 HETEROBICYLIC METALLOPROTEASE INHIBITORS ALANTOS PHARMACEUTICALS, INC. (US) 2007-12-06 WO disclosed