SCHEMBL6505261

SCHEMBL6505261

COC(=O)c1sc2cc(CC(N)=O)ccc2c1OCC(=O)OC(C)(C)C

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 7/20 0.39
KDM4E B2RXH2 5/20 0.39
ALDH1A1 P00352 3/20 0.39
HPGD P15428 3/20 0.39
MAPK1 P28482 3/20 0.39
GLA P06280 2/20 0.39
ALOX15 P16050 2/20 0.39
HSD17B10 Q99714 2/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
LMNA P02545 5/20 0.35
GAA P10253 4/20 0.35
KMT2A Q03164 3/20 0.35
NPSR1 Q6W5P4 2/20 0.35
SENP5 Q96HI0 1/20 0.35
SENP2 Q9HC62 1/20 0.35
SENP1 Q9P0U3 1/20 0.35
MTNR1A P48039 1/20 0.34
MTNR1B P49286 1/20 0.34
MEN1 O00255 2/20 0.34
ATM Q13315 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
SCHEMBL4118818 0.85 PTPN1 (0.39) MAPTKDM4EALDH1A1HPGDMAPK1
SCHEMBL6505258 0.83 MAPT (0.35) MAPTKDM4EALDH1A1HPGDMAPK1
SCHEMBL4131053 0.83 SMN1; SMN2 (0.43) MAPTKDM4EALDH1A1HPGDMAPK1
SCHEMBL4121844 0.82 MAPT (0.38) MAPTKDM4EALDH1A1HPGDMAPK1
SCHEMBL4131424 0.80 MAPT (0.37) MAPTKDM4EALDH1A1HPGDMAPK1
SCHEMBL4131737 0.80 L3MBTL1 (0.41) MAPTKDM4EALDH1A1HPGDMAPK1
SCHEMBL4119302 0.80 LIPG (0.42) MAPTKDM4EALDH1A1HPGDMAPK1
SCHEMBL4132094 0.80 KDM4E (0.36) MAPTKDM4EALDH1A1HPGDMAPK1
SCHEMBL4132097 0.80 KDM4E (0.36) MAPTKDM4EALDH1A1HPGDMAPK1
SCHEMBL4124207 0.79 MAPT (0.39) MAPTKDM4EALDH1A1HPGDMAPK1

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-2005081960-A2 INHIBITORS OF PROTEIN TYROSINE PHOSPHATASE 1B WYETH (US) 2005-09-09 WO disclosed