SCHEMBL8087774

SCHEMBL8087774

Nc1ccc(OCCCS(=O)(=O)CCO)cc1S(=O)(=O)O

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CTDSP1 Q9GZU7 1/20 0.45
ALDH1A1 P00352 2/20 0.41
LMNA P02545 2/20 0.41
POLB P06746 2/20 0.41
RAB9A P51151 2/20 0.41
SMN1; SMN2 Q16637 2/20 0.41
NPC1 O15118 1/20 0.41
MAPT P10636 1/20 0.41
ALOX15 P16050 1/20 0.41
BRCA1 P38398 1/20 0.41
HTT P42858 1/20 0.41
KDM4E B2RXH2 1/20 0.41
GMNN O75496 1/20 0.41
PKM P14618 1/20 0.41
THPO P40225 1/20 0.41
MTOR P42345 1/20 0.41
RECQL P46063 1/20 0.41
BLM P54132 1/20 0.41
HIF1A Q16665 1/20 0.41
PDIA6 Q15084 1/20 0.38

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
SCHEMBL8079284 0.93 CTDSP1 (0.46) CTDSP1ALDH1A1LMNAPOLBRAB9A
SCHEMBL8086533 0.89 ALDH1A1 (0.41) CTDSP1ALDH1A1LMNAPOLBRAB9A
SCHEMBL29682839 0.86 CTDSP1 (0.49) CTDSP1ALDH1A1LMNAPOLBRAB9A
SCHEMBL15380716 0.86 CTDSP1 (0.49) CTDSP1ALDH1A1LMNAPOLBRAB9A
SCHEMBL8087862 0.82 CA2 (0.40) CTDSP1ALDH1A1LMNAPOLBRAB9A
SCHEMBL22660938 0.82 CTDSP1 (0.48) CTDSP1ALDH1A1LMNAPOLBRAB9A
SCHEMBL22660901 0.81 CTDSP1 (0.50) CTDSP1ALDH1A1LMNAPOLBRAB9A
SCHEMBL20597466 0.81 CTDSP1 (0.57) CTDSP1ALDH1A1LMNARAB9ANPC1
SCHEMBL11050888 0.79 CTDSP1 (0.57) CTDSP1ALDH1A1LMNARAB9ANPC1
SCHEMBL8086541 0.78 RAB9A (0.48) ALDH1A1LMNAPOLBRAB9ASMN1; SMN2

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