Pentetic Acid

Pentetic Acid

SCHEMBL987206

CC1(C)CC(O)CC(C)(C)N1.CC1(C)CC(O)CC(C)(C)N1.CC1(C)CC(O)CC(C)(C)N1.CC1(C)CC(O)CC(C)(C)N1.CC1(C)CC(O)CC(C)(C)N1.O=C(O)CN(CCN(CC(=O)O)CC(=O)O)CCN(CC(=O)O)CC(=O)O

nearest known ligand 0.50

Full drug profile on Sugi Atlas →

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 2/20 0.50
BLM P54132 2/20 0.50
PMP22 Q01453 2/20 0.50
KDM4E B2RXH2 2/20 0.50
ALOX15 P16050 2/20 0.50
LMNA P02545 1/20 0.50
CHRM2 P08172 1/20 0.50
ADRA2A P08913 1/20 0.50
TSHR P16473 1/20 0.50
DRD1 P21728 1/20 0.50
SLC6A2 P23975 1/20 0.50
SLC6A4 P31645 1/20 0.50
CYP2C19 P33261 1/20 0.50
ADRA1A P35348 1/20 0.50
DRD3 P35462 1/20 0.50
SLC6A3 Q01959 1/20 0.50
HRH3 Q9Y5N1 1/20 0.50
EYA2 O00167 1/20 0.47
APP P05067 1/20 0.47
ACE P12821 1/20 0.47

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 SCHEMBL985337 0.98 TDP1 (0.48) TDP1BLMPMP22KDM4EALOX15
Nitrilotriacetic Acid SCHEMBL986503 0.91 TDP1 (0.37) TDP1BLMPMP22KDM4EALOX15
SCHEMBL10684197 0.80 GAA (0.43) TDP1BLMPMP22KDM4EALOX15
Pentetic Acid SCHEMBL985300 0.80 GAA (0.45) TDP1BLMPMP22KDM4EALOX15
Pentetic Acid SCHEMBL984546 0.79 TDP1 (0.48) TDP1BLMPMP22KDM4EALOX15
Pentetic Acid SCHEMBL986678 0.79 TDP1 (0.48) TDP1BLMPMP22KDM4EALOX15
Edetic Acid SCHEMBL986441 0.78 GAA (0.46) TDP1BLMPMP22KDM4EALOX15
Succinic Acid SCHEMBL11604469 0.78 GAA (0.39) KDM4EALOX15LMNATSHRCYP2C19
Edetic Acid SCHEMBL1233013 0.77 TDP1 (0.47) TDP1BLMPMP22KDM4EALOX15
Edetic Acid SCHEMBL1231054 0.77 TDP1 (0.47) TDP1BLMPMP22KDM4EALOX15

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