SCHEMBL6524810

SCHEMBL6524810

CCCCCCCCCNCCCCCC(=O)Oc1ccccc1S(=O)(=O)O.CCCCCCCCNCCCCCC(=O)OS(=O)(=O)C1=CC=CCC1=O

nearest known ligand 0.38

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
PPARG P37231 5/20 0.38
POLM Q9NP87 2/20 0.37
POLK Q9UBT6 2/20 0.37
POLL Q9UGP5 2/20 0.37
POLH Q9Y253 2/20 0.37
KMT2A Q03164 2/20 0.35
KDM4E B2RXH2 1/20 0.35
MEN1 O00255 1/20 0.35
RECQL P46063 1/20 0.35
PPARA Q07869 2/20 0.34
TOP2A P11388 1/20 0.33
CYSLTR2 Q9NS75 2/20 0.32
CYSLTR1 Q9Y271 2/20 0.32
SMN1; SMN2 Q16637 1/20 0.32

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
SCHEMBL8619204 0.93 PPARG (0.40) PPARGPOLMPOLKPOLLPOLH
SCHEMBL6447756 0.93 ALDH1A1 (0.37) PPARGPOLMPOLKPOLLPOLH
SCHEMBL8517201 0.87 CA2 (0.35) PPARGKMT2APPARASMN1; SMN2
SCHEMBL7637837 0.87 CA2 (0.35) PPARGKMT2APPARASMN1; SMN2
SCHEMBL7595507 0.87 CA2 (0.35) PPARGKMT2APPARASMN1; SMN2
SCHEMBL6572706 0.83 RECQL (0.48) PPARGPOLMPOLKPOLLPOLH
SCHEMBL6159405 0.83 RECQL (0.48) PPARGPOLMPOLKPOLLPOLH
SCHEMBL6157157 0.83 RECQL (0.48) PPARGPOLMPOLKPOLLPOLH
SCHEMBL8023125 0.83 RECQL (0.48) PPARGPOLMPOLKPOLLPOLH
SCHEMBL3249448 0.81 DGKA (0.37) KMT2ASMN1; 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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20050177956-A1 Sulfur dye protection systems and compositions and methods employing same THE BOARD OF REGENTS OF THE UNIVERSITY OF NEBRASKA 2005-08-18 US disclosed