SCHEMBL2173117

SCHEMBL2173117

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

nearest known ligand 0.65

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADAM10 O14672 14/20 0.65
ERBB2 P04626 12/20 0.65
MMP2 P08253 12/20 0.58
MMP8 P22894 1/20 0.56
MMP12 P39900 1/20 0.56
ADAM17 P78536 1/20 0.56
NPC1 O15118 4/20 0.51
RAB9A P51151 4/20 0.51
SMN1; SMN2 Q16637 3/20 0.51
TP53 P04637 2/20 0.51
MAPT P10636 2/20 0.49
HPGD P15428 1/20 0.49
ALDH1A1 P00352 1/20 0.48
POLB P06746 1/20 0.48
LMNA P02545 1/20 0.46
NFKB1 P19838 1/20 0.46
NFKB2 Q00653 1/20 0.46
RELA Q04206 1/20 0.46
ATM Q13315 1/20 0.46
HDAC4 P56524 1/20 0.46

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
SCHEMBL18043763 1.00 ADAM10 (0.65) ADAM10ERBB2MMP2MMP8MMP12
SCHEMBL2422925 0.95 ADAM10 (0.65) ADAM10ERBB2MMP2MMP8MMP12
SCHEMBL6024779 0.95 ADAM10 (0.65) ADAM10ERBB2MMP2MMP8MMP12
SCHEMBL2174203 0.95 ADAM10 (0.65) ADAM10ERBB2MMP2MMP8MMP12
SCHEMBL2173514 0.88 ADAM10 (0.67) ADAM10ERBB2MMP2MMP8MMP12
SCHEMBL13015347 0.85 RAB9A (0.52) ADAM10ERBB2MMP2MMP8MMP12
SCHEMBL2176195 0.84 ADAM10 (0.73) ADAM10ERBB2MMP2MMP8MMP12
SCHEMBL3457144 0.83 ADAM10 (0.65) ADAM10ERBB2MMP2MMP8MMP12
SCHEMBL2173968 0.82 ADAM10 (0.56) ADAM10ERBB2MMP2MMP8MMP12
SCHEMBL6336101 0.82 ADAM10 (0.67) 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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8853243-B2 Substituted cyclic hydroxamates as inhibitors of matrix metalloproteinases INCYTE CORPORATION (US) 2014-10-07 US disclosed
US-7973041-B2 Antiarthritic agents; psoriasis; anticancer agents;antiallergens; metalloprotease inhibitors. INCYTE CORPORATION (US) 2011-07-05 US disclosed
US-7491724-B2 Substituted cyclic hydroxamates as inhibitors of matrix metalloproteinases INCYTE CORPORATION (US) 2009-02-17 US disclosed