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Pentetic Acid

Pentetic Acid

SCHEMBL985300

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

nearest known ligand 0.45

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Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ GAA P10253 3/20 0.45
▸ KDM4E B2RXH2 2/20 0.43
▸ TDP1 Q9NUW8 2/20 0.43
▸ TSHR P16473 2/20 0.43
▸ LMNA P02545 1/20 0.43
▸ CHRM2 P08172 1/20 0.43
▸ ADRA2A P08913 1/20 0.43
▸ ALOX15 P16050 1/20 0.43
▸ DRD1 P21728 1/20 0.43
▸ SLC6A2 P23975 1/20 0.43
▸ SLC6A4 P31645 1/20 0.43
▸ CYP2C19 P33261 1/20 0.43
▸ ADRA1A P35348 1/20 0.43
▸ DRD3 P35462 1/20 0.43
▸ BLM P54132 1/20 0.43
▸ PMP22 Q01453 1/20 0.43
▸ SLC6A3 Q01959 1/20 0.43
▸ HRH3 Q9Y5N1 1/20 0.43
▸ HTT P42858 1/20 0.42
▸ KMT2A Q03164 1/20 0.41

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
Edetic Acid SCHEMBL986441 0.99 GAA (0.46) GAAKDM4ETDP1TSHRLMNA
Nitrilotriacetic Acid SCHEMBL986939 0.93 GAA (0.48) GAAKDM4ETSHRHTTKMT2A
Pentetic Acid SCHEMBL987211 0.82 KDM4E (0.42) GAAKDM4ETDP1TSHRLMNA
Pentetic Acid SCHEMBL986427 0.82 TDP1 (0.42) KDM4ETDP1TSHRLMNACHRM2
SCHEMBL77511 0.81 RECQL (0.55) GAAKDM4EHTTKMT2APOLB
Pentetic Acid SCHEMBL987206 0.80 TDP1 (0.50) GAAKDM4ETDP1TSHRLMNA
Edetic Acid SCHEMBL986952 0.80 KDM4E (0.40) GAAKDM4ETDP1TSHRLMNA
Edetic Acid SCHEMBL1233036 0.80 KDM4E (0.40) GAAKDM4ETDP1TSHRLMNA
Edetic Acid SCHEMBL1232066 0.80 KDM4E (0.40) GAAKDM4ETDP1TSHRLMNA
Edetic Acid SCHEMBL2831275 0.80 KDM4E (0.40) GAAKDM4ETDP1TSHRLMNA

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