SCHEMBL3458397

SCHEMBL3458397

O=C(NO)[C@@H]1C[C@H](N2CCOCC2)CC[C@H]1C(=O)N1CC[C@H](c2ccccc2)C1

nearest known ligand 0.56

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ADAM10 O14672 13/20 0.56
ERBB2 P04626 11/20 0.56
MMP2 P08253 11/20 0.54
MMP8 P22894 1/20 0.54
MMP12 P39900 1/20 0.54
ADAM17 P78536 1/20 0.54
PRCP P42785 5/20 0.52
KCNH2 Q12809 3/20 0.52
CNR1 P21554 1/20 0.47
SIGMAR1 Q99720 1/20 0.44
NPC1 O15118 1/20 0.44
TP53 P04637 1/20 0.44
RAB9A P51151 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44

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
SCHEMBL2174893 1.00 ADAM10 (0.56) ADAM10ERBB2MMP2MMP8MMP12
SCHEMBL3458394 1.00 ADAM10 (0.56) ADAM10ERBB2MMP2MMP8MMP12
SCHEMBL2172796 1.00 ADAM10 (0.56) ADAM10ERBB2MMP2MMP8MMP12
SCHEMBL2172947 0.92 ADAM10 (0.60) ADAM10ERBB2MMP2MMP8MMP12
SCHEMBL2174013 0.92 ADAM10 (0.60) ADAM10ERBB2MMP2MMP8MMP12
SCHEMBL2173968 0.86 ADAM10 (0.56) ADAM10ERBB2MMP2MMP8MMP12
SCHEMBL2422925 0.82 ADAM10 (0.65) ADAM10ERBB2MMP2MMP8MMP12
SCHEMBL6024779 0.82 ADAM10 (0.65) ADAM10ERBB2MMP2MMP8MMP12
SCHEMBL2174203 0.82 ADAM10 (0.65) ADAM10ERBB2MMP2MMP8MMP12
SCHEMBL2172745 0.82 ADAM10 (0.77) ADAM10ERBB2MMP2MMP8MMP12

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