SCHEMBL7104115

SCHEMBL7104115

CCOC(=O)C(NC(=O)[C@H](Br)Cc1ccccc1)C(=O)OCC

nearest known ligand 0.56

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MMP8 P22894 2/20 0.56
ALDH1A1 P00352 3/20 0.47
TP53 P04637 2/20 0.47
NPY1R P25929 1/20 0.46
NPY2R P49146 1/20 0.46
PKM P14618 1/20 0.44
EPHX2 P34913 1/20 0.44
PPARG P37231 1/20 0.44
SMN1; SMN2 Q16637 2/20 0.43
L3MBTL1 Q9Y468 2/20 0.43
HSD17B10 Q99714 2/20 0.43
RAB9A P51151 2/20 0.43
NPC1 O15118 1/20 0.43
THRB P10828 1/20 0.43
CYP2C9 P11712 1/20 0.43
CYP2C19 P33261 1/20 0.43
POLB P06746 2/20 0.43
LMNA P02545 1/20 0.43
GAA P10253 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
SCHEMBL7104119 1.00 MMP8 (0.56) MMP8ALDH1A1TP53NPY1RNPY2R
SCHEMBL2340596 0.83 MMP8 (0.58) MMP8ALDH1A1TP53NPY1RNPY2R
SCHEMBL10766993 0.78 MAPT (0.57) ALDH1A1L3MBTL1HSD17B10RAB9ANPC1
SCHEMBL7102729 0.77 MMP8 (0.54) MMP8ALDH1A1
SCHEMBL7102726 0.77 MMP8 (0.54) MMP8ALDH1A1
SCHEMBL7966874 0.76 MMP8 (0.56) MMP8ALDH1A1SMN1; SMN2CYP2C9CYP2C19
SCHEMBL10766924 0.76 LTA4H (0.64)
SCHEMBL10766921 0.76 LTA4H (0.64)
SCHEMBL10871801 0.76 LTA4H (0.64)
SCHEMBL27635936 0.76 CNR2 (0.59) MMP8ALDH1A1SMN1; SMN2RAB9ANPC1

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1140818-B1 AMIDOMALONAMIDES AND THEIR USE AS INHIBITORS OF MATRIX METALLOPROTEINASE AVENTIS PHARMA INC (US) 2003-09-10 EP disclosed
US-6329550-B1 FOR THERAPY OF EMPHYSEMA, OSTEOPOROSIS, RHEUMATOID ARTHRITIS AND NEOPLASTIC DISEASES AVENTIS PHARMACEUTICALS INC. 2001-12-11 US disclosed
EP-1140818-A1 AMIDOMALONAMIDES AND THEIR USE AS INHIBITORS OF MATRIX METALLOPROTEINASE Aventis Pharmaceuticals Inc. (US) 2001-10-10 EP disclosed
WO-2000040552-A1 AMIDOMALONAMIDES AND THEIR USE AS INHIBITORS OF MATRIX METALLOPROTEINASE AVENTIS PHARMACEUTICALS INC. (US) 2000-07-13 WO disclosed