SCHEMBL3457544

SCHEMBL3457544

O=C(NO)[C@H]1CC(Oc2cc(F)cc(F)c2)CCC1C(=O)N1CCN(c2ccccc2)CC1

nearest known ligand 0.60

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
ADAM10 O14672 20/20 0.60
ERBB2 P04626 19/20 0.60
MMP2 P08253 18/20 0.60
MMP9 P14780 11/20 0.55
MMP3 P08254 6/20 0.52
MMP8 P22894 1/20 0.48
MMP12 P39900 1/20 0.48
ADAM17 P78536 1/20 0.48

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
SCHEMBL2174376 1.00 ADAM10 (0.60) ADAM10ERBB2MMP2MMP9MMP3
SCHEMBL2175099 0.92 ADAM10 (0.58) ADAM10ERBB2MMP2MMP9MMP3
SCHEMBL3457721 0.92 ADAM10 (0.58) ADAM10ERBB2MMP2MMP9MMP3
SCHEMBL3457726 0.92 ADAM10 (0.58) ADAM10ERBB2MMP2MMP9MMP3
SCHEMBL2174006 0.91 ADAM10 (0.61) ADAM10ERBB2MMP2MMP9MMP3
SCHEMBL3458216 0.91 ADAM10 (0.61) ADAM10ERBB2MMP2MMP9MMP3
SCHEMBL2175009 0.90 ADAM10 (0.67) ADAM10ERBB2MMP2MMP9MMP3
SCHEMBL2174692 0.89 ADAM10 (0.58) ADAM10ERBB2MMP2MMP9MMP3
SCHEMBL2176635 0.88 ADAM10 (0.60) ADAM10ERBB2MMP2MMP9MMP3
SCHEMBL3458203 0.88 ADAM10 (0.60) 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