SCHEMBL8866720

SCHEMBL8866720

O=C(O)CN(CCN(CCN(CC(=O)O)CC(=O)O)CC(=O)O)CCN(CCN(CC(=O)O)CC(=O)O)CC(=O)O

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 2/20 1.00
BLM P54132 2/20 1.00
PMP22 Q01453 2/20 1.00
KDM4E B2RXH2 2/20 1.00
ALOX15 P16050 2/20 1.00
TSHR P16473 2/20 1.00
LMNA P02545 1/20 1.00
CHRM2 P08172 1/20 1.00
ADRA2A P08913 1/20 1.00
DRD1 P21728 1/20 1.00
SLC6A2 P23975 1/20 1.00
SLC6A4 P31645 1/20 1.00
CYP2C19 P33261 1/20 1.00
ADRA1A P35348 1/20 1.00
DRD3 P35462 1/20 1.00
SLC6A3 Q01959 1/20 1.00
HRH3 Q9Y5N1 1/20 1.00
EYA2 O00167 1/20 0.93
APP P05067 1/20 0.93
ACE P12821 1/20 0.93

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 SCHEMBL2468143 1.00 TDP1 (1.00) TDP1BLMPMP22KDM4EALOX15
Pentetic Acid SCHEMBL17138 1.00 TDP1 (1.00) TDP1BLMPMP22KDM4EALOX15
SCHEMBL137691 1.00 TDP1 (1.00) TDP1BLMPMP22KDM4EALOX15
Pentetic Acid SCHEMBL10564326 1.00 TDP1 (1.00) TDP1BLMPMP22KDM4EALOX15
Pentetic Acid SCHEMBL786105 1.00 TDP1 (1.00) TDP1BLMPMP22KDM4EALOX15
Pentetic Acid SCHEMBL9130818 0.97 TDP1 (0.94) TDP1BLMPMP22KDM4EALOX15
Pentetic Acid SCHEMBL8647927 0.97 TDP1 (0.94) TDP1BLMPMP22KDM4EALOX15
Pentetic Acid SCHEMBL456025 0.97 TDP1 (0.94) TDP1BLMPMP22KDM4EALOX15
Pentetic Acid SCHEMBL11041213 0.97 TDP1 (0.94) TDP1BLMPMP22KDM4EALOX15
Pentetic Acid SCHEMBL8115532 0.97 TDP1 (0.94) 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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5595725-A RELAXATION MEDIA FOR NUCLEAR MAGNETIC RESONANCE SCHERING AKTIENGESELLSCHAFT (DE) 1997-01-21 US disclosed
US-5560903-A NONTOXIC; LOWER DOSAGE; TOMOGRAPHY; ULTRASONIC DIAGNOSIS; DETECTION OF TUMORS AND CARDIAC INFARCTION SCHERING AKTIENGESELLSCHAFT (DE) 1996-10-01 US disclosed
US-4963344-A ADMINISTERING BIOCOMPATIBLE LANTHANIDE COMPLEX SCHERING AKTIENGESELLSCHAFT (DE) 1990-10-16 US disclosed