SCHEMBL7915934

SCHEMBL7915934

COCCOc1ccc(C(=O)NC(C)=O)cc1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 4/20 0.59
TBXAS1 P24557 1/20 0.58
PLK1 P53350 3/20 0.57
KDM4E B2RXH2 1/20 0.56
HTT P42858 1/20 0.56
SMN1; SMN2 Q16637 1/20 0.56
RAB9A P51151 1/20 0.53
L3MBTL1 Q9Y468 1/20 0.51
NPC1 O15118 2/20 0.50
GAA P10253 1/20 0.50
USP2 O75604 1/20 0.50
ALOX15 P16050 1/20 0.50
TSHR P16473 1/20 0.50
MAPK1 P28482 1/20 0.50
HSD17B10 Q99714 1/20 0.50
ACACB O00763 1/20 0.49
MTNR1A P48039 1/20 0.49
MTNR1B P49286 1/20 0.49
ALDH1A1 P00352 1/20 0.47
MEN1 O00255 1/20 0.47

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
SCHEMBL7921183 0.87 TBXAS1 (0.58) MAPTTBXAS1PLK1KDM4EHTT
SCHEMBL4751488 0.86 PLK1 (0.75) MAPTTBXAS1PLK1HTTSMN1; SMN2
SCHEMBL7921171 0.83 PLK1 (0.74) MAPTPLK1KDM4EHTTSMN1; SMN2
SCHEMBL13678971 0.83 MAPT (0.54) MAPTPLK1KDM4EHTTSMN1; SMN2
SCHEMBL933535 0.82 L3MBTL1 (0.75) MAPTRAB9AL3MBTL1GAAALDH1A1
SCHEMBL386165 0.81 MAPT (0.89) MAPTPLK1KDM4ESMN1; SMN2RAB9A
SCHEMBL13108708 0.80 MAPT (0.63) MAPTPLK1RAB9AL3MBTL1NPC1
SCHEMBL7915810 0.80 PLK1 (0.71) MAPTPLK1HTTSMN1; SMN2RAB9A
SCHEMBL12455672 0.80 MAPT (0.63) MAPTPLK1RAB9AL3MBTL1NPC1
SCHEMBL7916855 0.80 PLK1 (0.57) MAPTTBXAS1PLK1KDM4EHTT

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-2010048340-A2 NOVEL SEMI-SYNTHETIC GLYCOPEPTIDES AS ANTIBACTERIAL AGENTS LEAD THERAPEUTICS, INC. (US) 2010-04-29 WO disclosed