SCHEMBL7570864

SCHEMBL7570864

C=CCOC(=O)N(S)S.[Mo]

nearest known ligand 0.41

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.41
CYP3A4 P08684 1/20 0.39
MAPT P10636 1/20 0.37
CACNA1B Q00975 1/20 0.37
APBA1 Q02410 1/20 0.37
ALDH1A1 P00352 2/20 0.34
HSD17B10 Q99714 1/20 0.34
TDP1 Q9NUW8 1/20 0.34
PKM P14618 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
APP P05067 1/20 0.34
GAA P10253 1/20 0.33
NPSR1 Q6W5P4 1/20 0.32
SNCA P37840 1/20 0.31
MEN1 O00255 1/20 0.31
KMT2A Q03164 1/20 0.31

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
SCHEMBL461759 0.98
SCHEMBL1901077 0.95 TSHR (0.41) TSHRCYP3A4MAPTCACNA1BAPBA1
SCHEMBL1765932 0.95 TSHR (0.41) TSHRCYP3A4MAPTCACNA1BAPBA1
SCHEMBL2522350 0.95 TSHR (0.41) TSHRCYP3A4MAPTCACNA1BAPBA1
SCHEMBL1906085 0.95 TSHR (0.41) TSHRCYP3A4MAPTCACNA1BAPBA1
SCHEMBL9498811 0.95 TSHR (0.41) TSHRCYP3A4MAPTCACNA1BAPBA1
SCHEMBL11666658 0.95 TSHR (0.41) TSHRCYP3A4MAPTCACNA1BAPBA1
SCHEMBL1766016 0.95 TSHR (0.41) TSHRCYP3A4MAPTCACNA1BAPBA1
SCHEMBL1766029 0.95 TSHR (0.41) TSHRCYP3A4MAPTCACNA1BAPBA1
SCHEMBL1766021 0.95 TSHR (0.41) TSHRCYP3A4MAPTCACNA1BAPBA1

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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0668900-B2 GREASES GKN TECHNOLOGY LTD (GB) 2002-05-29 EP claimed
EP-0668900-B1 GREASES GKN TECHNOLOGY LTD (GB) 1998-10-07 EP claimed
EP-0668900-B2 GREASES GKN TECHNOLOGY LTD (GB) 2002-05-29 EP disclosed
EP-0668900-B1 GREASES GKN TECHNOLOGY LTD (GB) 1998-10-07 EP disclosed
EP-0668900-A1 GREASES GKN TECHNOLOGY LIMITED (GB) 1995-08-30 EP disclosed
WO-1994011470-A1 GREASES GKN TECHNOLOGY LIMITED (US) 1994-05-26 WO disclosed