SCHEMBL8065032

SCHEMBL8065032

CCOC(=O)[C@H](Cc1ccccc1)NOC(=O)N(C)C

nearest known ligand 0.50

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MMP8 P22894 2/20 0.50
NPY1R P25929 1/20 0.47
NPY2R P49146 1/20 0.47
ELANE P08246 1/20 0.46
HPRT1 P00492 1/20 0.46
TP53 P04637 2/20 0.46
MMP9 P14780 1/20 0.45
MMP14 P50281 1/20 0.45
TACR1 P25103 1/20 0.44
POLB P06746 3/20 0.44
ALDH1A1 P00352 2/20 0.44
LMNA P02545 1/20 0.44
HSD17B10 Q99714 1/20 0.44
L3MBTL1 Q9Y468 1/20 0.44
EPHX2 P34913 1/20 0.43
PPARG P37231 1/20 0.43
GAA P10253 1/20 0.43
RAB9A P51151 1/20 0.43
ATM Q13315 1/20 0.42

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
SCHEMBL8065025 1.00 MMP8 (0.50) MMP8NPY1RNPY2RELANEHPRT1
SCHEMBL4443858 0.86 MMP9 (0.49) MMP8MMP9MMP14L3MBTL1
SCHEMBL4443855 0.86 MMP9 (0.49) MMP8MMP9MMP14L3MBTL1
SCHEMBL4550562 0.85 MMP9 (0.44) MMP8MMP9MMP14POLBALDH1A1
SCHEMBL4550561 0.85 MMP9 (0.44) MMP8MMP9MMP14POLBALDH1A1
SCHEMBL2853134 0.84 ITGA4 (0.53) MMP9POLBALDH1A1ATM
SCHEMBL2853138 0.84 ITGA4 (0.53) MMP9POLBALDH1A1ATM
SCHEMBL28454174 0.83 MMP8 (0.52) MMP8NPY1RNPY2RELANEHPRT1
SCHEMBL15242293 0.83 MMP8 (0.57) MMP8NPY1RNPY2RELANEHPRT1
SCHEMBL7021895 0.81 MMP8 (0.56) MMP8ELANEHPRT1TP53TACR1

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-1000051-A1 CARBAMYLOXY COMPOUNDS WHICH INHIBIT LEUKOCYTE ADHESION MEDIATED BY VLA-4 Elan Pharmaceuticals, Inc. (US) 2000-05-17 EP disclosed
WO-1999006390-A1 CARBAMYLOXY COMPOUNDS WHICH INHIBIT LEUKOCYTE ADHESION MEDIATED BY VLA-4 ELAN PHARMACEUTICALS, INC. (US) 1999-02-11 WO disclosed