SCHEMBL6023765

SCHEMBL6023765

COC(=O)[C@H]1C[C@@H](O)CN(C(=O)OC(C)(C)C)[C@@H]1C(=O)N1CC=C(c2ccccc2)CC1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADAM10 O14672 7/20 0.50
ERBB2 P04626 6/20 0.50
MMP2 P08253 5/20 0.50
MMP9 P14780 3/20 0.50
MMP3 P08254 1/20 0.50
MMP12 P39900 1/20 0.50
MMP14 P50281 1/20 0.50
ADAM8 P78325 1/20 0.50
ADAM17 P78536 1/20 0.50
ADAM33 Q9BZ11 1/20 0.50
NAMPT P43490 1/20 0.44
ALDH1A1 P00352 2/20 0.43
GAA P10253 1/20 0.43
GRM5 P41594 2/20 0.41
GRM1 Q13255 2/20 0.41
PDK4 Q16654 1/20 0.41
TDP1 Q9NUW8 1/20 0.39
NPC1 O15118 1/20 0.39
ALOX15 P16050 1/20 0.39
TSHR P16473 1/20 0.39

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
SCHEMBL2172303 0.84 ADAM10 (0.55) ADAM10ERBB2MMP2MMP9MMP3
SCHEMBL3458022 0.78 ALDH1A1 (0.58) ADAM10ERBB2MMP2MMP9MMP3
SCHEMBL3457383 0.78 ALDH1A1 (0.58) ADAM10ERBB2MMP2MMP9MMP3
SCHEMBL3458021 0.78 ALDH1A1 (0.58) ADAM10ERBB2MMP2MMP9MMP3
SCHEMBL2173008 0.76 NAMPT (0.43) ADAM10ERBB2MMP2MMP9MMP3
SCHEMBL2239831 0.74 NAMPT (0.66) NAMPTALDH1A1GRM5GRM1PDK4
SCHEMBL3458400 0.74 ALDH1A1 (0.58) ADAM10ERBB2MMP2MMP9MMP3
SCHEMBL16393743 0.73 ADAM10 (0.47) ADAM10ERBB2MMP2MMP9MMP3
SCHEMBL2172713 0.73 ADAM10 (0.57) ADAM10ERBB2MMP2MMP9MMP3
SCHEMBL2172725 0.73 ADAM10 (0.57) 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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1678167-A1 SUBSTITUTED CYCLIC HYDROXAMATES AS INHIBITORS OF MATRIX METALLOPROTEINASES Incyte Corporation (US) 2006-07-12 EP disclosed
WO-2005037826-A1 SUBSTITUTED CYCLIC HYDROXAMATES AS INHIBITORS OF MATRIX METALLOPROTEINASES INCYTE CORPORATION (US) 2005-04-28 WO disclosed