SCHEMBL7737356

SCHEMBL7737356

CCOC(=O)CCNC(C)C#N

nearest known ligand 0.42

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
GAA P10253 2/20 0.42
MGAM O43451 1/20 0.42
SI P14410 1/20 0.42
MGAM2 Q2M2H8 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.39
CYP1A2 P05177 1/20 0.39
ALDH1A1 P00352 3/20 0.38
KDM4E B2RXH2 1/20 0.38
KMT2A Q03164 2/20 0.37
POLB P06746 1/20 0.37
TOP2A P11388 1/20 0.35
TRPA1 O75762 1/20 0.35
TSHR P16473 1/20 0.34

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
SCHEMBL7137693 0.82 GAA (0.45) GAAMGAMSIMGAM2L3MBTL1
SCHEMBL20014816 0.81 GAA (0.41) GAAMGAMSIMGAM2L3MBTL1
SCHEMBL21175294 0.81 GAA (0.41) GAAMGAMSIMGAM2L3MBTL1
SCHEMBL7309740 0.81 GAA (0.52) GAAMGAMSIMGAM2L3MBTL1
SCHEMBL3987200 0.77 GAA (0.46) GAAMGAMSIMGAM2L3MBTL1
SCHEMBL13250492 0.77 GAA (0.46) GAAMGAMSIMGAM2L3MBTL1
SCHEMBL29023037 0.75 GAA (0.45) GAAMGAMSIMGAM2L3MBTL1
SCHEMBL3209626 0.75 GAA (0.45) GAAMGAMSIMGAM2L3MBTL1
SCHEMBL11288753 0.75 GAA (0.45) GAAMGAMSIMGAM2L3MBTL1
SCHEMBL22186686 0.75 CYP1A2 (0.46) GAAMGAMSIMGAM2L3MBTL1

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
US-6777431-B2 ANTICOAGULANTS CORVAS INTERNATIONAL, INC. 2004-08-17 US disclosed
US-6777431-B2 ANTICOAGULANTS CORVAS INTERNATIONAL, INC. 2004-08-17 US disclosed