SCHEMBL2834387

SCHEMBL2834387

CCCCCCCCCCCCC1C=CC=C(C(=O)[O-])C1=O.CCCCCCCCCCCCC1C=CC=C(C(=O)[O-])C1=O.CCCCCCCCCCCCC1C=CC=C(C(=O)[O-])C1=O.[Fe+3]

nearest known ligand 0.36

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
PPARG P37231 5/20 0.36
PPARD Q03181 2/20 0.36
PPARA Q07869 2/20 0.36
DNTT P04053 1/20 0.35
TRPA1 O75762 2/20 0.32
NR4A2 P43354 2/20 0.32
PRKCA P17252 2/20 0.31
PRKD3 O94806 1/20 0.31
PRKCG P05129 1/20 0.31
PRKCB P05771 1/20 0.31
PRKCH P24723 1/20 0.31
PRKCE Q02156 1/20 0.31
PRKCQ Q04759 1/20 0.31
PRKCD Q05655 1/20 0.31
PRKD1 Q15139 1/20 0.31
CES2 O00748 3/20 0.31
CES1 P23141 3/20 0.31

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) PPARGPPARDPPARADNTTCES2
SCHEMBL2836060 0.97 DNTT (0.35) PPARGPPARDPPARADNTTCES2
SCHEMBL6425979 0.85 PPARG (0.38) PPARGPPARDPPARADNTT
SCHEMBL7752083 0.85 PPARG (0.38) PPARGPPARDPPARADNTT
SCHEMBL6053252 0.77 DNTT (0.36) PPARGPPARDPPARADNTTCES2
SCHEMBL6209156 0.77 DNTT (0.36) PPARGPPARDPPARADNTTCES2
SCHEMBL6207650 0.77 DNTT (0.36) PPARGPPARDPPARADNTTCES2
SCHEMBL6210729 0.77 DNTT (0.36) PPARGPPARDPPARADNTTCES2
SCHEMBL6210762 0.77 DNTT (0.36) PPARGPPARDPPARADNTTCES2
SCHEMBL7645640 0.72 NFKB1 (0.34) PPARGPPARDPPARADNTT

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