SCHEMBL27587481

SCHEMBL27587481

CC(C)CN(C(=O)OC(C)(C)C)[C@@H](CCC(N)=O)C(=O)O

nearest known ligand 0.34

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.34
ALOX15 P16050 1/20 0.34
BLM P54132 1/20 0.34
PMP22 Q01453 1/20 0.34
AAK1 Q2M2I8 1/20 0.31
FOLH1 Q04609 1/20 0.31
MEN1 O00255 1/20 0.31
GAA P10253 1/20 0.31
SLC1A3 P43003 1/20 0.30
SLC1A2 P43004 1/20 0.30
SLC1A1 P43005 1/20 0.30
CA12 O43570 1/20 0.30
CA1 P00915 1/20 0.30
CA2 P00918 1/20 0.30
CA14 Q9ULX7 1/20 0.30
HDAC1 Q13547 1/20 0.30
HDAC2 Q92769 1/20 0.30
HDAC6 Q9UBN7 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
SCHEMBL8764441 0.81 KMT2A (0.39) KMT2AALOX15BLMPMP22MEN1
SCHEMBL1927535 0.80 AAK1 (0.31) KMT2AAAK1MEN1GAACA12
SCHEMBL1927533 0.80 AAK1 (0.31) KMT2AAAK1MEN1GAACA12
SCHEMBL30198069 0.79 NOD1 (0.38) KMT2AMEN1SLC1A3SLC1A2SLC1A1
SCHEMBL15641614 0.78 MEN1 (0.47) KMT2AMEN1GAACA12CA1
SCHEMBL11211657 0.77 KMT2A (0.40) KMT2AALOX15BLMPMP22MEN1
SCHEMBL28501210 0.77 KMT2A (0.40) KMT2AALOX15BLMPMP22MEN1
SCHEMBL27916807 0.76 KMT2A (0.35) KMT2AALOX15BLMPMP22MEN1
SCHEMBL8278768 0.76 MEN1 (0.33) KMT2AAAK1MEN1GAACA12
SCHEMBL25925036 0.74 CA1 (0.35) AAK1CA12CA1CA2CA14

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
CN-1535267-A 5-membered heterocycles, preparation and use thereof as medicine ��ѧ�о���Ӧ����ѯ��˾ 2004-10-06 CN disclosed