SCHEMBL3458600

SCHEMBL3458600

COc1cccc(O[C@@H]2CNC(C(=O)N3CCN(c4ccccc4)CC3)C(C(=O)NO)C2)c1

nearest known ligand 0.65

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
ADAM10 O14672 19/20 0.65
ERBB2 P04626 16/20 0.65
MMP2 P08253 16/20 0.58
MMP9 P14780 8/20 0.52
MMP3 P08254 6/20 0.49
HRH3 Q9Y5N1 1/20 0.49
MMP1 P03956 1/20 0.47

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
SCHEMBL2171932 1.00 ADAM10 (0.65) ADAM10ERBB2MMP2MMP9MMP3
SCHEMBL2175233 0.91 ADAM10 (0.65) ADAM10ERBB2MMP2MMP9MMP3
SCHEMBL2174503 0.90 ADAM10 (0.65) ADAM10ERBB2MMP2MMP9MMP3
SCHEMBL2174929 0.90 ADAM10 (0.65) ADAM10ERBB2MMP2MMP9MMP3
SCHEMBL2172579 0.87 ADAM10 (0.62) ADAM10ERBB2MMP2MMP9MMP3
SCHEMBL3457984 0.82 ADAM10 (0.62) ADAM10ERBB2MMP2MMP9MMP3
SCHEMBL6024732 0.82 ADAM10 (0.53) ADAM10ERBB2MMP2MMP9MMP3
SCHEMBL2174553 0.82 ADAM10 (0.71) ADAM10ERBB2MMP2MMP9MMP3
SCHEMBL3458731 0.82 ADAM10 (0.72) ADAM10ERBB2MMP2MMP9MMP3
SCHEMBL2175909 0.82 ADAM10 (0.72) ADAM10ERBB2MMP2MMP9MMP3

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
EP-2264030-A1 Substituted cyclic hydroxamates as inhibitors of matrix metalloproteinases Incyte Corporation (US) 2010-12-22 EP claimed