SCHEMBL8200128

SCHEMBL8200128

CCOP(=O)(SCC)SCSCC

nearest known ligand 0.38

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.38
HSD17B10 Q99714 2/20 0.38
CYP3A4 P08684 1/20 0.38
ACHE P22303 1/20 0.38
TSHR P16473 3/20 0.37
KCNH2 Q12809 1/20 0.36
TDP1 Q9NUW8 2/20 0.34
TP53 P04637 1/20 0.34
MEN1 O00255 1/20 0.34
KMT2A Q03164 1/20 0.34
PPARD Q03181 1/20 0.30

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
SCHEMBL3817924 0.87 TSHR (0.48) ALDH1A1HSD17B10CYP3A4ACHETSHR
SCHEMBL11446227 0.86 ALDH1A1 (0.39) ALDH1A1HSD17B10CYP3A4ACHETSHR
SCHEMBL11441024 0.83 ALDH1A1 (0.33) ALDH1A1HSD17B10CYP3A4ACHETSHR
SCHEMBL11439808 0.83 ACHE (0.38) ALDH1A1HSD17B10CYP3A4ACHETSHR
SCHEMBL8105400 0.82 ALDH1A1 (0.52) ALDH1A1HSD17B10CYP3A4ACHETSHR
SCHEMBL11115508 0.82 ALDH1A1 (0.55) ALDH1A1HSD17B10CYP3A4ACHETSHR
SCHEMBL3729094 0.81 ALDH1A1 (0.31) ALDH1A1HSD17B10CYP3A4
SCHEMBL5933624 0.78 ALDH1A1 (0.41) ALDH1A1HSD17B10CYP3A4ACHETSHR
SCHEMBL11488501 0.77 TP53 (0.41) ALDH1A1HSD17B10CYP3A4ACHETSHR
SCHEMBL11583774 0.72 ALDH1A1 (0.53) ALDH1A1HSD17B10CYP3A4ACHETSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1051070-A1 WATER-DISPERSIBLE FLAKE COMPOSITIONS ZENECA LIMITED (GB) 2000-11-15 EP disclosed
WO-1999039577-A1 WATER-DISPERSIBLE FLAKE COMPOSITIONS ZENECA LIMITED (GB) 1999-08-12 WO disclosed