SCHEMBL15519305

SCHEMBL15519305

C=CCOC(=O)OC(=O)S

nearest known ligand 0.39

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 1/20 0.39
TSHR P16473 2/20 0.38
ALDH1A1 P00352 1/20 0.38
HSD17B10 Q99714 1/20 0.38
MAPT P10636 1/20 0.37
CACNA1B Q00975 1/20 0.37
APBA1 Q02410 1/20 0.37
TDP1 Q9NUW8 1/20 0.34
PKM P14618 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
SOAT1 P35610 1/20 0.32
NPSR1 Q6W5P4 1/20 0.32
SNCA P37840 1/20 0.31
MEN1 O00255 1/20 0.31
KMT2A Q03164 1/20 0.31
APP P05067 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
SCHEMBL47912 0.85 CYP3A4 (0.45) CYP3A4TSHRALDH1A1HSD17B10MAPT
SCHEMBL9110969 0.83 CYP3A4 (0.43) CYP3A4TSHRALDH1A1HSD17B10MAPT
SCHEMBL997518 0.80
SCHEMBL9928 0.80 CYP3A4 (0.48) CYP3A4TSHRALDH1A1HSD17B10MAPT
Ethylene Glycol SCHEMBL1923456 0.79 CYP3A4 (0.41) CYP3A4TSHRALDH1A1HSD17B10MAPT
SCHEMBL692505 0.79 CYP3A4 (0.41) CYP3A4TSHRALDH1A1HSD17B10MAPT
SCHEMBL10457404 0.78
SCHEMBL10457406 0.78
Ethylene SCHEMBL3010758 0.78 CYP3A4 (0.46) CYP3A4TSHRALDH1A1HSD17B10MAPT
Ethylene SCHEMBL9717606 0.78 CYP3A4 (0.46) CYP3A4TSHRALDH1A1HSD17B10MAPT

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
US-8673885-B1 Compounds for the protection of sulfur containing linkers in nucleic acid synthesis DUFF ROBERT (US) 2014-03-18 US disclosed