SCHEMBL8087903

SCHEMBL8087903

Nc1ccc(OCCCS(=O)(=O)CCO)c(S(=O)(=O)O)c1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSD17B10 Q99714 4/20 0.40
RAPGEF4 Q8WZA2 1/20 0.38
ALDH1A1 P00352 9/20 0.36
POLB P06746 5/20 0.36
KDM4E B2RXH2 4/20 0.36
MAPT P10636 4/20 0.36
RECQL P46063 4/20 0.36
TDP1 Q9NUW8 4/20 0.36
GAA P10253 3/20 0.36
CASP6 P55212 2/20 0.36
L3MBTL1 Q9Y468 2/20 0.36
NSD2 O96028 1/20 0.36
APEX1 P27695 1/20 0.36
APOBEC3A P31941 1/20 0.36
APOBEC3G Q9HC16 1/20 0.36
MEN1 O00255 2/20 0.35
KMT2A Q03164 2/20 0.35
ELAVL1 Q15717 1/20 0.35
CASP1 P29466 3/20 0.34
HTT P42858 2/20 0.34

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
SCHEMBL8086619 0.93 HSD17B10 (0.41) HSD17B10RAPGEF4ALDH1A1POLBKDM4E
SCHEMBL8090791 0.89 HSD17B10 (0.38) HSD17B10RAPGEF4ALDH1A1POLBKDM4E
SCHEMBL9470946 0.88 HSD17B10 (0.42) HSD17B10RAPGEF4ALDH1A1POLBKDM4E
SCHEMBL9812902 0.86 HSD17B10 (0.45) HSD17B10RAPGEF4ALDH1A1POLBKDM4E
SCHEMBL8079307 0.82 HSD17B10 (0.38) HSD17B10RAPGEF4ALDH1A1POLBKDM4E
SCHEMBL10477944 0.81 HSD17B10 (0.44) HSD17B10RAPGEF4ALDH1A1POLBKDM4E
SCHEMBL156095 0.80 HSD17B10 (0.49) HSD17B10RAPGEF4ALDH1A1POLBKDM4E
SCHEMBL8164591 0.80 HSD17B10 (0.45) HSD17B10RAPGEF4ALDH1A1POLBKDM4E
SCHEMBL10395751 0.79 HSD17B10 (0.38) HSD17B10RAPGEF4ALDH1A1POLBKDM4E
Hydrochloric Acid SCHEMBL9812898 0.79 HSD17B10 (0.44) HSD17B10RAPGEF4ALDH1A1POLBKDM4E

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-0717084-B1 Water soluble fibre reactive anthraquinone compounds DYSTAR TEXTILFARBEN GMBH & CO (DE) 2000-11-22 EP disclosed
EP-0717084-A1 Water soluble fibre reactive anthraquinone compounds HOECHST AKTIENGESELLSCHAFT (DE) 1996-06-19 EP disclosed