SCHEMBL8086541

SCHEMBL8086541

Nc1ccc(OCCCS(=O)(=O)CCO)cc1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 3/20 0.48
ALDH1A1 P00352 3/20 0.48
LMNA P02545 2/20 0.48
POLB P06746 2/20 0.48
SMN1; SMN2 Q16637 2/20 0.48
NPC1 O15118 2/20 0.48
MAPT P10636 2/20 0.48
ALOX15 P16050 1/20 0.48
BRCA1 P38398 1/20 0.48
HTT P42858 1/20 0.48
KDM4E B2RXH2 1/20 0.48
GMNN O75496 1/20 0.48
PKM P14618 1/20 0.48
THPO P40225 1/20 0.48
MTOR P42345 1/20 0.48
RECQL P46063 1/20 0.48
BLM P54132 1/20 0.48
HIF1A Q16665 1/20 0.48
APP P05067 4/20 0.46
TDP1 Q9NUW8 2/20 0.42

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
SCHEMBL8087892 0.92 APP (0.47) RAB9AALDH1A1LMNAPOLBSMN1; SMN2
SCHEMBL9471236 0.84 TDP1 (0.40) RAB9AALDH1A1LMNAPOLBSMN1; SMN2
SCHEMBL8079303 0.81 TSHR (0.51) RAB9AALDH1A1LMNAPOLBSMN1; SMN2
SCHEMBL5150899 0.81 ALDH1A1 (0.51) RAB9AALDH1A1LMNAPOLBSMN1; SMN2
SCHEMBL2227724 0.79 TDP1 (0.52) RAB9AALDH1A1NPC1MAPTKDM4E
SCHEMBL8087774 0.78 CTDSP1 (0.45) RAB9AALDH1A1LMNAPOLBSMN1; SMN2
SCHEMBL8086533 0.78 ALDH1A1 (0.41) RAB9AALDH1A1LMNAPOLBSMN1; SMN2
SCHEMBL3541139 0.78 APP (0.58) RAB9AALDH1A1SMN1; SMN2NPC1MAPT
Sulfuric Acid SCHEMBL8644382 0.76 TDP1 (0.52) RAB9AALDH1A1SMN1; SMN2NPC1MAPT
SCHEMBL10619348 0.76 APP (0.56) RAB9AALDH1A1NPC1MAPTAPP

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 4 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
EP-0355492-B1 REACTIVE DYES BAYER AG (DE) 1992-12-09 EP disclosed
EP-0355492-A1 Reactive dyes BAYER AG (DE) 1990-02-28 EP disclosed