SCHEMBL8086533

SCHEMBL8086533

Nc1cc(OCCCS(=O)(=O)CCO)ccc1S(=O)(=O)O

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
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
MAPT P10636 2/20 0.41
NPC1 O15118 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 0.40
CA2 P00918 6/20 0.40

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
SCHEMBL8087862 0.93 CA2 (0.40) ALDH1A1LMNAPOLBRAB9ASMN1; SMN2
SCHEMBL8087774 0.89 CTDSP1 (0.45) ALDH1A1LMNAPOLBRAB9ASMN1; SMN2
SCHEMBL8079284 0.82 CTDSP1 (0.46) ALDH1A1LMNAPOLBRAB9ASMN1; SMN2
SCHEMBL1608196 0.81 PDIA6 (0.49) ALDH1A1LMNARAB9AMAPTNPC1
SCHEMBL1607721 0.79 MAPT (0.52) ALDH1A1LMNARAB9AMAPTNPC1
SCHEMBL8090791 0.78 HSD17B10 (0.38) ALDH1A1LMNAPOLBRAB9ASMN1; SMN2
SCHEMBL8086541 0.78 RAB9A (0.48) ALDH1A1LMNAPOLBRAB9ASMN1; SMN2
SCHEMBL1607556 0.78 TSHR (0.50) ALDH1A1RAB9AMAPTNPC1HTT
SCHEMBL3444883 0.78 TSHR (0.50) ALDH1A1RAB9AMAPTNPC1HTT
SCHEMBL1608214 0.78 TSHR (0.50) ALDH1A1RAB9AMAPTNPC1HTT

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