SCHEMBL11045816

SCHEMBL11045816

O=C(CC1NC(=O)C1CCO)OCc1ccccc1

nearest known ligand 0.50

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
GLA P06280 1/20 0.50
ALDH1A1 P00352 3/20 0.45
MAPK1 P28482 1/20 0.45
L3MBTL1 Q9Y468 1/20 0.45
IDO1 P14902 2/20 0.40
TDO2 P48775 1/20 0.40
KMT2A Q03164 2/20 0.40
CDC25B P30305 1/20 0.39
SLC6A2 P23975 1/20 0.39
SLC6A3 Q01959 1/20 0.39
TDP1 Q9NUW8 1/20 0.39
MMP1 P03956 1/20 0.38
MMP2 P08253 1/20 0.38
MMP9 P14780 1/20 0.38
MMP12 P39900 1/20 0.38

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
SCHEMBL10766952 1.00 GLA (0.50) GLAALDH1A1MAPK1L3MBTL1IDO1
SCHEMBL10928370 0.90 GLA (0.50) GLAALDH1A1MAPK1L3MBTL1IDO1
SCHEMBL10767894 0.80 GLA (0.42) GLAALDH1A1MAPK1L3MBTL1IDO1
SCHEMBL10345691 0.75 GLA (0.49) GLAALDH1A1MAPK1L3MBTL1IDO1
SCHEMBL10673314 0.75 GLA (0.49) GLAALDH1A1MAPK1L3MBTL1IDO1
SCHEMBL10674650 0.75 GLA (0.49) GLAALDH1A1MAPK1L3MBTL1IDO1
SCHEMBL10345690 0.75 GLA (0.49) GLAALDH1A1MAPK1L3MBTL1IDO1
SCHEMBL10674660 0.75 GLA (0.49) GLAALDH1A1MAPK1L3MBTL1IDO1
SCHEMBL10763429 0.75 GLA (0.61) GLAALDH1A1MAPK1L3MBTL1IDO1
SCHEMBL27047329 0.75 GLA (0.51) GLAALDH1A1MAPK1L3MBTL1IDO1

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
WO-1984000547-A1 FLUORALKYLATEDCARBAPENEM DERIVATIVES SANDOZ AG (AT) 1984-02-16 WO disclosed