SCHEMBL3457491

SCHEMBL3457491

O=C(NO)[C@H]1CC(O)CCC1C(=O)N1CC=C(c2ccccc2)CC1

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADAM10 O14672 15/20 0.57
ERBB2 P04626 12/20 0.57
MMP2 P08253 12/20 0.57
MMP9 P14780 6/20 0.57
MMP3 P08254 4/20 0.57
MMP1 P03956 3/20 0.57
ALDH1A1 P00352 2/20 0.56
GAA P10253 1/20 0.56
MMP12 P39900 1/20 0.52
MMP14 P50281 1/20 0.52
ADAM8 P78325 1/20 0.52
ADAM17 P78536 1/20 0.52
ADAM33 Q9BZ11 1/20 0.52
NPC1 O15118 1/20 0.48
ALOX15 P16050 1/20 0.48
TSHR P16473 1/20 0.48
RAB9A P51151 1/20 0.48
SMN1; SMN2 Q16637 1/20 0.48
MEN1 O00255 1/20 0.45
KMT2A Q03164 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
SCHEMBL2175376 1.00 ADAM10 (0.57) ADAM10ERBB2MMP2MMP9MMP3
SCHEMBL2173224 0.90 ADAM10 (0.56) ADAM10ERBB2MMP2MMP9MMP3
SCHEMBL2175093 0.85 ADAM10 (0.58) ADAM10ERBB2MMP2MMP9MMP3
SCHEMBL6484368 0.83 ADAM10 (0.52) ADAM10ERBB2MMP2MMP9MMP3
SCHEMBL2172943 0.82 ADAM10 (0.55) ADAM10ERBB2MMP2MMP9MMP3
SCHEMBL2177307 0.81 ADAM10 (0.56) ADAM10ERBB2MMP2MMP9MMP3
SCHEMBL2175880 0.81 ADAM10 (0.56) ADAM10ERBB2MMP2MMP9MMP3
SCHEMBL2174309 0.81 ADAM10 (0.56) ADAM10ERBB2MMP2MMP9MMP3
SCHEMBL2174315 0.81 ADAM10 (0.56) ADAM10ERBB2MMP2MMP9MMP3
SCHEMBL2171829 0.81 ADAM10 (0.56) 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