Sugi Predict

Sugi Predict / Compounds / SCHEMBL3246038

SCHEMBL3246038

SCHEMBL3246038

CCCCCCCCCCCCCCCCC(C)(OC(=O)C(C)O)C(=O)[O-].CCCCCCCCCCCCCCCCC(C)(OC(=O)C(C)O)C(=O)[O-].CCCCCCCCCCCCCCCCC(C)(OC(=O)C(C)O)C(=O)[O-].[Al+3]

nearest known ligand 0.39

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ CA1 P00915 2/20 0.39
▸ MAPT P10636 2/20 0.37
▸ CA2 P00918 1/20 0.37
▸ GPR84 Q9NQS5 1/20 0.34
▸ MEN1 O00255 1/20 0.34
▸ KMT2A Q03164 1/20 0.34
▸ ATM Q13315 1/20 0.34
▸ L3MBTL1 Q9Y468 1/20 0.34
▸ LMNA P02545 2/20 0.33
▸ CES2 O00748 1/20 0.33

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
SCHEMBL3249951 0.98 CA1 (0.40) CA1MAPTCA2GPR84MEN1
SCHEMBL6314726 0.98 CA1 (0.40) CA1MAPTCA2GPR84MEN1
Lithium Ion SCHEMBL3369017 0.97 CA1 (0.39) CA1MAPTCA2GPR84MEN1
SCHEMBL3366160 0.97 CA1 (0.39) CA1MAPTCA2GPR84MEN1
SCHEMBL3245650 0.97 CA1 (0.39) CA1MAPTCA2GPR84MEN1
SCHEMBL5706474 0.97 CA1 (0.41) CA1MAPTCA2GPR84MEN1
Potassium Ion SCHEMBL3366858 0.97 CA1 (0.39) CA1MAPTCA2GPR84MEN1
SCHEMBL3241594 0.97 CA1 (0.39) CA1MAPTCA2GPR84MEN1
SCHEMBL3365188 0.97 CA1 (0.39) CA1MAPTCA2GPR84MEN1
SCHEMBL3367432 0.97 CA1 (0.41) CA1MAPTCA2GPR84MEN1

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
EP-1743660-B1 Antimicrobial sutures and methods of making them TYCO HEALTHCARE (US) 2010-06-02 — — EP claimed