SCHEMBL18930971

SCHEMBL18930971

CCOC(=O)CNC(=O)[C@H](CSC)NC(=O)CC[C@H](NC(C)=O)C(=O)OCC

nearest known ligand 0.52

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 3/20 0.52
POLB P06746 1/20 0.52
L3MBTL1 Q9Y468 3/20 0.51
GLO1 Q04760 2/20 0.41
GAA P10253 2/20 0.39
NOD1 Q9Y239 3/20 0.39
CYP1A2 P05177 1/20 0.39
CYP2C9 P11712 1/20 0.39
CYP2C19 P33261 1/20 0.39
HTT P42858 1/20 0.39
DRD1 P21728 1/20 0.38
ALDH1A1 P00352 3/20 0.36
HPGD P15428 2/20 0.36
KDM4E B2RXH2 1/20 0.36
HSD17B10 Q99714 1/20 0.36
PPID Q08752 1/20 0.36
TSHR P16473 1/20 0.36
MEN1 O00255 1/20 0.35
NOD2 Q9HC29 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
SCHEMBL18930970 0.87 KMT2A (0.53) KMT2APOLBL3MBTL1GLO1GAA
SCHEMBL18930768 0.86 KMT2A (0.52) KMT2APOLBL3MBTL1GLO1GAA
SCHEMBL19709658 0.82 KMT2A (0.60) KMT2APOLBL3MBTL1GLO1GAA
SCHEMBL4401203 0.80 GAA (0.41) KMT2APOLBL3MBTL1GAACYP1A2
SCHEMBL19709644 0.78 KMT2A (0.55) KMT2APOLBL3MBTL1GLO1GAA
SCHEMBL19709641 0.78 NOD1 (0.47) KMT2APOLBL3MBTL1GLO1GAA
SCHEMBL19695203 0.78 NOD1 (0.47) KMT2APOLBL3MBTL1GLO1GAA
SCHEMBL19709750 0.77 KMT2A (0.53) KMT2APOLBL3MBTL1GLO1GAA
SCHEMBL26241612 0.77 KMT2A (0.53) KMT2APOLBL3MBTL1GLO1GAA
SCHEMBL14597271 0.77 GLO1 (0.49) GLO1NOD1KDM4E

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-2017093543-A2 ANTI-BACTERIAL COMPOUNDS AUSPHERIX LIMITED (GB) 2017-06-08 WO disclosed