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Sugi Predict / Compounds / Edetic Acid

Edetic Acid

Edetic Acid

SCHEMBL986797

CC(=O)NC1CC(C)(C)N(C)C(C)(C)C1.CC(=O)NC1CC(C)(C)N(C)C(C)(C)C1.CC(=O)NC1CC(C)(C)N(C)C(C)(C)C1.CC(=O)NC1CC(C)(C)N(C)C(C)(C)C1.O=C(O)CN(CCN(CC(=O)O)CC(=O)O)CC(=O)O

nearest known ligand 0.40

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Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ TDP1 Q9NUW8 2/20 0.40
▸ EYA2 O00167 1/20 0.40
▸ APP P05067 1/20 0.40
▸ ACE P12821 1/20 0.40
▸ TSHR P16473 2/20 0.39
▸ CYP2C19 P33261 2/20 0.39
▸ BLM P54132 2/20 0.39
▸ PMP22 Q01453 2/20 0.39
▸ ALOX15 P16050 2/20 0.39
▸ KDM4E B2RXH2 1/20 0.39
▸ LMNA P02545 1/20 0.39
▸ CHRM2 P08172 1/20 0.39
▸ ADRA2A P08913 1/20 0.39
▸ DRD1 P21728 1/20 0.39
▸ SLC6A2 P23975 1/20 0.39
▸ SLC6A4 P31645 1/20 0.39
▸ ADRA1A P35348 1/20 0.39
▸ DRD3 P35462 1/20 0.39
▸ SLC6A3 Q01959 1/20 0.39
▸ HRH3 Q9Y5N1 1/20 0.39

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
Pentetic Acid SCHEMBL986427 0.99 TDP1 (0.42) TDP1EYA2APPACETSHR
Nitrilotriacetic Acid SCHEMBL987118 0.94 ALDH1A1 (0.33) TDP1EYA2APPACETSHR
Edetic Acid SCHEMBL1233036 0.89 KDM4E (0.40) TDP1EYA2APPACETSHR
Edetic Acid SCHEMBL986952 0.89 KDM4E (0.40) TDP1EYA2APPACETSHR
Edetic Acid SCHEMBL15163476 0.89 KDM4E (0.40) TDP1EYA2APPACETSHR
Edetic Acid SCHEMBL2831275 0.89 KDM4E (0.40) TDP1EYA2APPACETSHR
Edetic Acid SCHEMBL1232066 0.89 KDM4E (0.40) TDP1EYA2APPACETSHR
Pentetic Acid SCHEMBL987211 0.87 KDM4E (0.42) TDP1EYA2APPACETSHR
Edetic Acid SCHEMBL2861164 0.84 KDM4E (0.37) TDP1EYA2APPACETSHR
SCHEMBL8613134 0.83 HDAC4 (0.39) TSHRCYP2C19ALOX15KDM4EALDH1A1

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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7862746-B2 Stabilization of natural composites BASF SE. (DE) 2011-01-04 — — US claimed
WO-2006087269-A1 STABILIZATION OF NATURAL COMPOSITES CIBA SPECIALTY CHEMICALS HOLDING INC. (CH) 2006-08-24 — — WO claimed
US-20060183821-A1 Stabilization of natural composites CIBA CORPORATION 2006-08-17 — — US claimed
US-7862746-B2 Stabilization of natural composites BASF SE. (DE) 2011-01-04 — — US disclosed
WO-2006087269-A1 STABILIZATION OF NATURAL COMPOSITES CIBA SPECIALTY CHEMICALS HOLDING INC. (CH) 2006-08-24 — — WO disclosed
US-20060183821-A1 Stabilization of natural composites CIBA CORPORATION 2006-08-17 — — US disclosed