SCHEMBL3401871

SCHEMBL3401871

CCN(CC)C(=O)CN(C)C([O])=O

nearest known ligand 0.46

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.46
MMP1 P03956 1/20 0.34
MMP2 P08253 1/20 0.34
MMP3 P08254 1/20 0.34
MMP8 P22894 1/20 0.34
CA12 O43570 2/20 0.32
CA1 P00915 2/20 0.32
CA9 Q16790 2/20 0.32
CA2 P00918 1/20 0.32
TSPO P30536 1/20 0.32
MEN1 O00255 2/20 0.31
KMT2A Q03164 2/20 0.31
HSD17B10 Q99714 1/20 0.31
HCRTR2 O43614 2/20 0.30
NPC1 O15118 1/20 0.30
RAB9A P51151 1/20 0.30
ALDH1A1 P00352 1/20 0.30

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
SCHEMBL25477021 0.81 LMNA (0.46) LMNAMMP1MMP2MMP3MMP8
SCHEMBL13434931 0.79 LMNA (0.55) LMNAMMP1MMP2MMP3MMP8
SCHEMBL30421227 0.79 LMNA (0.44) LMNAMMP1MMP2MMP3MMP8
SCHEMBL21565937 0.75 LMNA (0.50) LMNAMMP1MMP2MMP3MMP8
SCHEMBL43187 0.73
SCHEMBL14611823 0.72 LMNA (0.52) LMNAMMP1MMP2MMP3MMP8
SCHEMBL10795986 0.72 LMNA (0.52) LMNAMMP1MMP2MMP3MMP8
SCHEMBL23355753 0.71 LMNA (0.38) LMNACA12CA1CA9CA2
SCHEMBL42299 0.70
SCHEMBL17830449 0.70 LMNA (0.44) LMNAMMP1MMP2MMP3MMP8

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1268446-B1 METHOD FOR PRODUCING ASYMMETRICAL 4,6-BIS(ARYLOXY)PYRIMIDINE DERIVATIVES BAYER CROPSCIENCE AG (DE) 2010-10-06 EP claimed