SCHEMBL7682341

SCHEMBL7682341

CCOC(=O)CCNC(C)C(C)C(=O)OCC

nearest known ligand 0.44

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 1/20 0.44
GAA P10253 2/20 0.43
MGAM O43451 1/20 0.43
SI P14410 1/20 0.43
MGAM2 Q2M2H8 1/20 0.43
KMT2A Q03164 2/20 0.41
POLB P06746 1/20 0.41
CYP1A2 P05177 1/20 0.40
ALDH1A1 P00352 2/20 0.39
KDM4E B2RXH2 1/20 0.39
TRPA1 O75762 1/20 0.36
TOP2A P11388 1/20 0.36
SMYD3 Q9H7B4 1/20 0.35

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
SCHEMBL7688696 0.88 GAA (0.42) L3MBTL1GAAMGAMSIMGAM2
SCHEMBL7309740 0.83 GAA (0.52) L3MBTL1GAAMGAMSIMGAM2
SCHEMBL27465592 0.81 GAA (0.46) L3MBTL1GAAMGAMSIMGAM2
SCHEMBL13250492 0.81 GAA (0.46) L3MBTL1GAAMGAMSIMGAM2
SCHEMBL11074412 0.79 GAA (0.48) L3MBTL1GAAMGAMSIMGAM2
SCHEMBL3987200 0.78 GAA (0.46) L3MBTL1GAAMGAMSIMGAM2
Hydrochloric Acid SCHEMBL11065818 0.78 GAA (0.46) L3MBTL1GAAMGAMSIMGAM2
SCHEMBL11288753 0.76 GAA (0.45) L3MBTL1GAAMGAMSIMGAM2
SCHEMBL3209626 0.76 GAA (0.45) L3MBTL1GAAMGAMSIMGAM2
SCHEMBL29023037 0.76 GAA (0.45) L3MBTL1GAAMGAMSIMGAM2

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
US-6455538-B1 SODIUM CHANNEL MODULATORS; BRAIN AND NERVOUS SYSTEM DISORDERS BOEHRINGER INGELHEIM PHARMA KG (DE) 2002-09-24 US disclosed