SCHEMBL3457591

SCHEMBL3457591

O=C(NO)[C@H]1CC(OCc2ccccc2)CC[C@@H]1C(=O)N1CCN(c2ccccc2)CC1

nearest known ligand 0.64

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
ADAM10 O14672 19/20 0.64
ERBB2 P04626 18/20 0.64
MMP2 P08253 18/20 0.64
MMP9 P14780 11/20 0.60
MMP3 P08254 6/20 0.52
MMP8 P22894 1/20 0.50
MMP12 P39900 1/20 0.50
ADAM17 P78536 1/20 0.50
CTSB P07858 1/20 0.48
CTSS P25774 1/20 0.48
CTSK P43235 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
SCHEMBL3457594 1.00 ADAM10 (0.64) ADAM10ERBB2MMP2MMP9MMP3
SCHEMBL2171702 1.00 ADAM10 (0.64) ADAM10ERBB2MMP2MMP9MMP3
SCHEMBL2173799 0.92 ADAM10 (0.56) ADAM10ERBB2MMP2MMP9MMP3
SCHEMBL2175009 0.84 ADAM10 (0.67) ADAM10ERBB2MMP2MMP9MMP3
SCHEMBL3457598 0.84 ADAM10 (0.69) ADAM10ERBB2MMP2MMP9MMP3
SCHEMBL2172461 0.82 ADAM10 (0.62) ADAM10ERBB2MMP2MMP9MMP3
SCHEMBL3457380 0.82 ADAM10 (0.62) ADAM10ERBB2MMP2MMP9MMP3
SCHEMBL3457377 0.82 ADAM10 (0.62) ADAM10ERBB2MMP2MMP9MMP3
SCHEMBL27651587 0.82 ADAM10 (0.62) ADAM10ERBB2MMP2MMP9MMP3
SCHEMBL2176705 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 disclosed