SCHEMBL2836060

SCHEMBL2836060

CCCCCCCCCCCCC1C=CC=C(C(=O)[O-])C1=O.CCCCCCCCCCCCC1C=CC=C(C(=O)[O-])C1=O.[Ni+2]

nearest known ligand 0.35

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
DNTT P04053 1/20 0.35
PPARG P37231 5/20 0.34
PPARD Q03181 2/20 0.34
PPARA Q07869 2/20 0.34
CES2 O00748 3/20 0.31
CES1 P23141 3/20 0.31
POLB P06746 1/20 0.31
FASN P49327 1/20 0.31
GPR84 Q9NQS5 1/20 0.30

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
SCHEMBL2834351 0.97 DNTT (0.35) DNTTPPARGPPARDPPARACES2
SCHEMBL6425979 0.85 PPARG (0.38) DNTTPPARGPPARDPPARAPOLB
SCHEMBL7752083 0.85 PPARG (0.38) DNTTPPARGPPARDPPARAPOLB
SCHEMBL6210729 0.77 DNTT (0.36) DNTTPPARGPPARDPPARACES2
SCHEMBL6207650 0.77 DNTT (0.36) DNTTPPARGPPARDPPARACES2
SCHEMBL6209156 0.77 DNTT (0.36) DNTTPPARGPPARDPPARACES2
SCHEMBL6210762 0.77 DNTT (0.36) DNTTPPARGPPARDPPARACES2
SCHEMBL9325236 0.71 RECQL (0.42) DNTT
Water SCHEMBL12501573 0.66 GRM2 (0.37)
SCHEMBL11224811 0.64 NFKB1 (0.37) DNTTPPARGPPARDPPARACES2

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
US-8202504-B2 Method for manufacturing carbon nanotubes SHINSHU UNIVERSITY (JP) 2012-06-19 US disclosed
US-20100196248-A1 METHOD FOR MANUFACTURING CARBON NANOTUBES SHINSHU UNIVERSITY (JP) 2010-08-05 US disclosed