SCHEMBL4621031

SCHEMBL4621031

CCC(C)(C)N[C@@H](CCC(N)=O)C(=O)OC(=O)c1ccc(-c2ccccc2)cc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.46
MMP2 P08253 3/20 0.42
MMP9 P14780 2/20 0.42
SLC1A5 Q15758 1/20 0.41
PDCD1 Q15116 1/20 0.39
CD274 Q9NZQ7 1/20 0.39
SMN1; SMN2 Q16637 4/20 0.39
MAPT P10636 3/20 0.39
L3MBTL1 Q9Y468 2/20 0.39
ADAMTS5 Q9UNA0 2/20 0.38
ADAMTS4 O75173 1/20 0.38
RAB9A P51151 3/20 0.38
NPC1 O15118 2/20 0.38
HPGD P15428 2/20 0.37
HTR1A P08908 1/20 0.37
CYP2D6 P10635 1/20 0.37
SCN1A P35498 1/20 0.37
SLC6A3 Q01959 1/20 0.37
SCN5A Q14524 1/20 0.37
SCN2A Q99250 1/20 0.37

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
SCHEMBL4365446 0.91 KDM4E (0.46) KDM4EMMP2MMP9SLC1A5PDCD1
SCHEMBL2251277 0.84 MMP2 (0.42) KDM4EMMP2MMP9SLC1A5PDCD1
SCHEMBL2249781 0.84 MMP2 (0.39) KDM4EMMP2MMP9SLC1A5PDCD1
SCHEMBL2249366 0.83 KDM4E (0.39) KDM4EMMP2MMP9SLC1A5PDCD1
SCHEMBL5651555 0.82 KDM4E (0.51) KDM4EMMP2MMP9SLC1A5PDCD1
SCHEMBL2249344 0.82 MMP2 (0.45) KDM4EMMP2MMP9SLC1A5PDCD1
SCHEMBL2245100 0.82 HPGD (0.41) KDM4EMMP2SMN1; SMN2MAPTL3MBTL1
SCHEMBL2248535 0.82 SMN1; SMN2 (0.45) MMP2SMN1; SMN2ADAMTS5MMP8MMP12
SCHEMBL2247537 0.82 MMP2 (0.42) KDM4EMMP2MMP9SLC1A5SMN1; SMN2
SCHEMBL2247715 0.81 CYP3A4 (0.39) KDM4EMMP2MAPTADAMTS5CYP2D6

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-1902014-A2 GLUTAMATE AGGRECANASE INHIBITORS Wyeth (US) 2008-03-26 EP disclosed
WO-2007008994-A2 GLUTAMATE AGGRECANASE INHIBITORS WYETH (US) 2007-01-18 WO disclosed