Sugi Predict

Sugi Predict / Compounds / SCHEMBL7874080

SCHEMBL7874080

SCHEMBL7874080

NCCN([C@@H](CC(=O)[O-])C(=O)[O-])[C@@H](CC(=O)[O-])C(=O)[O-].NCCN([C@@H](CC(=O)[O-])C(=O)[O-])[C@@H](CC(=O)[O-])C(=O)[O-].NCCN([C@@H](CC(=O)[O-])C(=O)[O-])[C@@H](CC(=O)[O-])C(=O)[O-].[Fe+3].[Fe+3].[Fe+3].[Fe+3]

nearest known ligand 0.37

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
▸ CA4 P22748 2/20 0.37
▸ CTSL P07711 1/20 0.34
▸ CA2 P00918 1/20 0.32
▸ CPT2 P23786 1/20 0.31
▸ CPT1A P50416 1/20 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
SCHEMBL3369325 0.96 CA4 (0.40) CA4CTSLCA2CPT2CPT1A
SCHEMBL5794127 0.89 CA4 (0.35) CA4CTSLCA2
SCHEMBL17594649 0.89 CA4 (0.35) CA4CTSLCA2
SCHEMBL21862 0.67 CA4 (0.48) CA4CTSLCA2CPT2CPT1A
SCHEMBL7807211 0.67 GABRR1 (0.38) —
SCHEMBL1997913 0.67 GABRR1 (0.38) —
SCHEMBL9982694 0.65 CA4 (0.38) CA4CTSLCA2
SCHEMBL6239313 0.65 CA4 (0.41) CA4CTSLCA2
SCHEMBL6536875 0.64 GABRR1 (0.37) —
Lithium Ion SCHEMBL31678991 0.64 CA4 (0.41) CA4CTSLCA2

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-6300510-B1 WASHING CONCENTRATED LIQUID OR DRIED SOLID MIXTURE INCLUDING S,S-ETHYLENEDIAMINE N,N'-DISUCCINIC ACID IRON ALKALI SALT WHICH CONTAINS SPECIFIED IMPURITIES WITH ABSOLUTE LOWER ALCOHOL OR WATER-CONTAINING LOWER ALCOHOL TO PURIFY SALT MITSUBISHI RAYON CO., LTD. (JP) 2001-10-09 — — US claimed