SCHEMBL5981994

SCHEMBL5981994

O=C(c1ccc(OCCCCS(=O)(=O)O)cc1)c1ccc(OCCCCS(=O)(=O)O)cc1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.56
LMNA P02545 3/20 0.56
POLB P06746 2/20 0.56
RAB9A P51151 2/20 0.56
SMN1; SMN2 Q16637 2/20 0.56
KDM4E B2RXH2 2/20 0.56
MAPT P10636 2/20 0.56
NPC1 O15118 1/20 0.56
ALOX15 P16050 1/20 0.56
BRCA1 P38398 1/20 0.56
HTT P42858 1/20 0.56
GMNN O75496 1/20 0.56
PKM P14618 1/20 0.56
THPO P40225 1/20 0.56
MTOR P42345 1/20 0.56
RECQL P46063 1/20 0.56
BLM P54132 1/20 0.56
HIF1A Q16665 1/20 0.56
PPARA Q07869 2/20 0.55
L3MBTL1 Q9Y468 2/20 0.53

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
SCHEMBL11275464 0.93 ALDH1A1 (0.52) ALDH1A1LMNAPOLBRAB9ASMN1; SMN2
SCHEMBL11496759 0.91 PPARA (0.62) ALDH1A1LMNAPOLBRAB9ASMN1; SMN2
SCHEMBL20913146 0.89 RAB9A (0.57) ALDH1A1LMNAPOLBRAB9ASMN1; SMN2
SCHEMBL6267331 0.89 GAA (0.64) ALDH1A1LMNAPOLBRAB9ASMN1; SMN2
SCHEMBL16713448 0.87 GAA (0.62) ALDH1A1LMNAPOLBRAB9ASMN1; SMN2
SCHEMBL5583901 0.87 RAB9A (0.55) ALDH1A1LMNAPOLBRAB9ASMN1; SMN2
SCHEMBL13901365 0.85 ALDH1A1 (0.52) ALDH1A1LMNAPOLBRAB9ASMN1; SMN2
SCHEMBL4872642 0.83 ALDH1A1 (0.54) ALDH1A1LMNAPOLBRAB9ASMN1; SMN2
SCHEMBL5584060 0.82 S1PR1 (0.57) ALDH1A1LMNAPOLBRAB9ASMN1; SMN2
SCHEMBL28030079 0.82 ALDH1A1 (0.55) 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-1641975-A1 METHODS AND COMPOSITIONS FOR IMPROVING LIGHT-FADE RESISTANCE AND SOIL REPELLENCY OF TEXTILES AND LEATHERS Scheidler, Karl (US) 2006-04-05 EP disclosed
WO-2005007966-A1 METHODS AND COMPOSITIONS FOR IMPROVING LIGHT-FADE RESISTANCE AND SOIL REPELLENCY OF TEXTILES AND LEATHERS SCHEIDLER KARL J (US) 2005-01-27 WO disclosed