SCHEMBL3458338

SCHEMBL3458338

COC1CCC(O[C@H]2C[C@H](C(=O)NO)CC[C@@H]2C(=O)N2CCN(c3ccccc3)CC2)CC1

nearest known ligand 0.54

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
ADAM10 O14672 19/20 0.54
ERBB2 P04626 19/20 0.54
MMP2 P08253 18/20 0.54
MMP9 P14780 11/20 0.49
MMP3 P08254 6/20 0.49
SIGMAR1 Q99720 1/20 0.45

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
SCHEMBL2174896 0.85 ADAM10 (0.64) ADAM10ERBB2MMP2MMP9MMP3
SCHEMBL3457182 0.77 ADAM10 (0.51) ADAM10ERBB2MMP2MMP9MMP3
SCHEMBL2173742 0.77 ADAM10 (0.60) ADAM10ERBB2MMP2MMP9MMP3
SCHEMBL3458814 0.76 ADAM10 (0.49) ADAM10ERBB2MMP2MMP9MMP3
SCHEMBL2172688 0.75 ADAM10 (0.61) ADAM10ERBB2MMP2MMP9MMP3
SCHEMBL3457725 0.74 ADAM10 (0.50) ADAM10ERBB2MMP2
SCHEMBL2173866 0.74 ADAM10 (0.59) ADAM10ERBB2MMP2MMP9MMP3
SCHEMBL2174261 0.73 ADAM10 (0.58) ADAM10ERBB2MMP2MMP9MMP3
SCHEMBL3457598 0.73 ADAM10 (0.69) ADAM10ERBB2MMP2MMP9MMP3
SCHEMBL2175009 0.73 ADAM10 (0.67) 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 disclosed