Sugi Predict

Sugi Predict / Compounds / SCHEMBL9577313

SCHEMBL9577313

SCHEMBL9577313

CCCCCCC(CCCCCCCCCC(=O)[O-])C(=O)[O-].CCCCCCC(CCCCCCCCCC(=O)[O-])C(=O)[O-].CCCCCCC(CCCCCCCCCC(=O)[O-])C(=O)[O-].[Ce+3].[Ce+3]

nearest known ligand 0.72

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ CA2 P00918 2/20 0.72
▸ NFKB1 P19838 3/20 0.58
▸ GPR84 Q9NQS5 1/20 0.56
▸ FABP3 P05413 7/20 0.55
▸ CYP3A4 P08684 2/20 0.52
▸ TSHR P16473 2/20 0.52
▸ NPSR1 Q6W5P4 2/20 0.52
▸ CA1 P00915 2/20 0.52

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
SCHEMBL3368577 0.96 CA2 (0.79) CA2NFKB1GPR84FABP3CYP3A4
Lithium Ion SCHEMBL9781566 0.96 CA2 (0.72) CA2NFKB1GPR84FABP3CYP3A4
Zinc Ion SCHEMBL9806605 0.96 CA2 (0.72) CA2NFKB1GPR84FABP3CYP3A4
SCHEMBL3438387 0.96 CA2 (0.72) CA2NFKB1GPR84FABP3CYP3A4
Lithium Ion SCHEMBL11438840 0.96 CA2 (0.72) CA2NFKB1GPR84FABP3CYP3A4
SCHEMBL16972964 0.96 CA2 (0.72) CA2NFKB1GPR84FABP3CYP3A4
Lithium Ion SCHEMBL5680426 0.96 CA2 (0.72) CA2NFKB1GPR84FABP3CYP3A4
Potassium Ion SCHEMBL9246555 0.96 CA2 (0.72) CA2NFKB1GPR84FABP3CYP3A4
SCHEMBL3685429 0.96 CA2 (0.72) CA2NFKB1GPR84FABP3CYP3A4
SCHEMBL3922309 0.96 CA2 (0.72) CA2NFKB1GPR84FABP3CYP3A4

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-5258422-A Biodegradable blend of polymer, phosphorous compound, and oxidant TREDEGAR INDUSTRIES, INC. (US) 1993-11-02 — — US disclosed