SCHEMBL8079284

SCHEMBL8079284

Nc1ccc(OCCS(=O)(=O)CCO)cc1S(=O)(=O)O

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CTDSP1 Q9GZU7 1/20 0.46
SMN1; SMN2 Q16637 3/20 0.39
ALDH1A1 P00352 2/20 0.39
LMNA P02545 2/20 0.39
POLB P06746 2/20 0.39
RAB9A P51151 2/20 0.39
MAPT P10636 2/20 0.39
NPC1 O15118 1/20 0.39
ALOX15 P16050 1/20 0.39
BRCA1 P38398 1/20 0.39
HTT P42858 1/20 0.39
KDM4E B2RXH2 1/20 0.39
GMNN O75496 1/20 0.39
PKM P14618 1/20 0.39
THPO P40225 1/20 0.39
MTOR P42345 1/20 0.39
RECQL P46063 1/20 0.39
BLM P54132 1/20 0.39
HIF1A Q16665 1/20 0.39
PDIA6 Q15084 1/20 0.35

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
SCHEMBL8087774 0.93 CTDSP1 (0.45) CTDSP1SMN1; SMN2ALDH1A1LMNAPOLB
SCHEMBL8087862 0.89 CA2 (0.40) CTDSP1SMN1; SMN2ALDH1A1LMNAPOLB
SCHEMBL22660901 0.85 CTDSP1 (0.50) CTDSP1SMN1; SMN2ALDH1A1LMNAPOLB
SCHEMBL8086533 0.82 ALDH1A1 (0.41) CTDSP1SMN1; SMN2ALDH1A1LMNAPOLB
SCHEMBL15380716 0.81 CTDSP1 (0.49) CTDSP1SMN1; SMN2ALDH1A1LMNAPOLB
SCHEMBL29682839 0.81 CTDSP1 (0.49) CTDSP1SMN1; SMN2ALDH1A1LMNAPOLB
SCHEMBL22660938 0.80 CTDSP1 (0.48) CTDSP1SMN1; SMN2ALDH1A1LMNAPOLB
SCHEMBL20597466 0.80 CTDSP1 (0.57) CTDSP1ALDH1A1LMNARAB9AMAPT
SCHEMBL11050888 0.80 CTDSP1 (0.57) CTDSP1ALDH1A1LMNARAB9AMAPT
SCHEMBL8087892 0.77 APP (0.47) SMN1; SMN2ALDH1A1LMNAPOLBRAB9A

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