SCHEMBL5807478

SCHEMBL5807478

CCOC(=O)c1c(NC(=O)C[S])sc(C(=O)OC)c1C

nearest known ligand 0.68

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 14/20 0.68
HPGD P15428 7/20 0.68
HSD17B10 Q99714 6/20 0.68
TSHR P16473 4/20 0.68
PKM P14618 1/20 0.65
SMN1; SMN2 Q16637 5/20 0.63
MAPT P10636 3/20 0.62
MEN1 O00255 2/20 0.62
KMT2A Q03164 2/20 0.62
NPSR1 Q6W5P4 3/20 0.59
LMNA P02545 2/20 0.59
TP53 P04637 2/20 0.58
DUSP3 P51452 1/20 0.58
PTPN5 P54829 1/20 0.58
PTPN11 Q06124 1/20 0.58
THRB P10828 1/20 0.57
KDM4E B2RXH2 1/20 0.56

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
SCHEMBL5807480 0.86 ALDH1A1 (0.68) ALDH1A1HPGDHSD17B10TSHRPKM
SCHEMBL7933617 0.81 ALDH1A1 (0.72) ALDH1A1HPGDHSD17B10TSHRPKM
SCHEMBL11344627 0.79 ALDH1A1 (1.00) ALDH1A1HPGDHSD17B10TSHRPKM
SCHEMBL5805791 0.79 MAPT (0.63) ALDH1A1HPGDHSD17B10TSHRPKM
SCHEMBL12115502 0.78 ALDH1A1 (0.72) ALDH1A1HPGDHSD17B10TSHRPKM
SCHEMBL5806475 0.75 ALDH1A1 (0.72) ALDH1A1HPGDHSD17B10TSHRPKM
SCHEMBL2987459 0.75 ALDH1A1 (0.72) ALDH1A1HPGDHSD17B10TSHRPKM
SCHEMBL4136897 0.75 PKM (0.71) ALDH1A1HPGDHSD17B10TSHRPKM
SCHEMBL8288721 0.74 ALDH1A1 (0.84) ALDH1A1HPGDHSD17B10TSHRPKM
SCHEMBL8288609 0.74 ALDH1A1 (0.84) ALDH1A1HPGDHSD17B10TSHRPKM

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