SCHEMBL5807115

SCHEMBL5807115

[CH2]C(=O)Nc1sc2c(c1C(=O)OCC)CCC(C)C2

nearest known ligand 0.71

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MAPT P10636 7/20 0.71
ALDH1A1 P00352 5/20 0.71
KDM4E B2RXH2 5/20 0.71
HSD17B10 Q99714 4/20 0.71
NPSR1 Q6W5P4 2/20 0.71
POLB P06746 2/20 0.65
ALOX15 P16050 2/20 0.65
ALOX12 P18054 2/20 0.65
GAA P10253 1/20 0.65
HPGD P15428 1/20 0.65
TSHR P16473 1/20 0.65
LMNA P02545 2/20 0.63
SMN1; SMN2 Q16637 2/20 0.63
TP53 P04637 2/20 0.63
HTT P42858 1/20 0.61
THRB P10828 1/20 0.61
MAPK1 P28482 1/20 0.60
TLR2 O60603 1/20 0.60

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
SCHEMBL5803763 0.86 MAPT (0.68) MAPTALDH1A1KDM4EHSD17B10NPSR1
SCHEMBL5803762 0.86 MAPT (0.68) MAPTALDH1A1KDM4EHSD17B10NPSR1
SCHEMBL3923517 0.84 KDM4E (0.66) MAPTALDH1A1KDM4EHSD17B10NPSR1
SCHEMBL28650118 0.83 TP53 (0.72) MAPTALDH1A1KDM4EHSD17B10NPSR1
SCHEMBL8289569 0.82 MAPT (0.59) MAPTALDH1A1KDM4EHSD17B10NPSR1
SCHEMBL8290347 0.81 ALDH1A1 (0.69) MAPTALDH1A1KDM4EHSD17B10NPSR1
SCHEMBL8288726 0.80 ALDH1A1 (0.64) MAPTALDH1A1KDM4EHSD17B10NPSR1
SCHEMBL3913991 0.80 MAPT (0.66) MAPTALDH1A1KDM4EHSD17B10NPSR1
SCHEMBL21247239 0.79 ALDH1A1 (1.00) MAPTALDH1A1KDM4EHSD17B10NPSR1
SCHEMBL2949670 0.79 ALDH1A1 (1.00) MAPTALDH1A1KDM4EHSD17B10NPSR1

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-2006093518-A2 THIENYL COMPOUNDS FOR TREATING VIRUS-RELATED CONDITIONS APATH, LLC (US) 2006-09-08 WO disclosed