SCHEMBL3457436

SCHEMBL3457436

O=C(NO)[C@@H]1C[C@H](Oc2ccc(F)c(F)c2)CC[C@H]1C(=O)N1CC=C(c2ccccc2)CC1

nearest known ligand 0.51

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ADAM10 O14672 17/20 0.51
MMP2 P08253 14/20 0.51
ERBB2 P04626 10/20 0.51
MMP9 P14780 7/20 0.51
MMP3 P08254 4/20 0.47
MMP12 P39900 2/20 0.47
ADAM17 P78536 2/20 0.47
MMP14 P50281 1/20 0.47
ADAM8 P78325 1/20 0.47
ADAM33 Q9BZ11 1/20 0.47
MMP1 P03956 2/20 0.47
ALDH1A1 P00352 2/20 0.45
GAA P10253 2/20 0.45
MMP8 P22894 1/20 0.42
KDM4E B2RXH2 1/20 0.41
USP2 O75604 1/20 0.41
ALOX15 P16050 1/20 0.41
TSHR P16473 1/20 0.41

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
SCHEMBL2172593 1.00 ADAM10 (0.51) ADAM10MMP2ERBB2MMP9MMP3
SCHEMBL3457433 1.00 ADAM10 (0.51) ADAM10MMP2ERBB2MMP9MMP3
SCHEMBL2177605 0.88 ADAM10 (0.51) ADAM10MMP2ERBB2MMP9MMP3
SCHEMBL3458252 0.88 ADAM10 (0.51) ADAM10MMP2ERBB2MMP9MMP3
SCHEMBL3458250 0.88 ADAM10 (0.51) ADAM10MMP2ERBB2MMP9MMP3
SCHEMBL2428637 0.86 ADAM10 (0.54) ADAM10MMP2ERBB2MMP9MMP3
SCHEMBL6498128 0.86 ADAM10 (0.54) ADAM10MMP2ERBB2MMP9MMP3
SCHEMBL2173573 0.85 ADAM10 (0.53) ADAM10MMP2ERBB2MMP9MMP3
SCHEMBL2177113 0.84 ADAM10 (0.51) ADAM10MMP2ERBB2MMP9MMP3
SCHEMBL3457422 0.84 ADAM10 (0.51) ADAM10MMP2ERBB2MMP9MMP3

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