SCHEMBL11210331

SCHEMBL11210331

CCOC(=O)CCCn1c(=O)n(CCCC(=O)OCC)c(=O)n(CCCC(=O)OCC)c1=O

nearest known ligand 0.58

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
TNF P01375 16/20 0.58
CYP1A2 P05177 1/20 0.52
GAA P10253 1/20 0.50
ALDH1A1 P00352 1/20 0.49
GSK3A P49840 1/20 0.47
GSK3B P49841 1/20 0.47

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
SCHEMBL11210438 0.88 TNF (0.52) TNFCYP1A2GAAALDH1A1GSK3A
SCHEMBL11514212 0.85 TNF (0.60) TNFCYP1A2GAA
SCHEMBL11714254 0.84 TNF (0.57) TNFGAAALDH1A1
SCHEMBL5162227 0.77 GSK3A (0.64) TNFCYP1A2ALDH1A1GSK3AGSK3B
SCHEMBL8570508 0.76 CYP1A2 (0.73) CYP1A2GAAALDH1A1
SCHEMBL1331978 0.76 CYP1A2 (0.73) CYP1A2GAAALDH1A1
SCHEMBL50610 0.76 CYP1A2 (0.73) CYP1A2GAAALDH1A1
SCHEMBL50734 0.76 CYP1A2 (0.73) CYP1A2GAAALDH1A1
SCHEMBL11861074 0.74 CYP1A2 (0.53) TNFCYP1A2GAAALDH1A1
SCHEMBL28107871 0.74 CYP1A2 (0.53) TNFCYP1A2GAAALDH1A1

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-4317911-A LIGHT STABILIZERS FOR POLYMERS CIBA-GEIGY CORPORATION (US) 1982-03-02 US disclosed