SCHEMBL8412960

SCHEMBL8412960

O=C(O)CCCCCCCCCCC(C(=O)O)N(CCN(CC(=O)O)CC(=O)O)CCN(CC(=O)O)CC(=O)O

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 2/20 0.45
EYA2 O00167 1/20 0.45
APP P05067 1/20 0.45
ACE P12821 1/20 0.45
LMNA P02545 3/20 0.44
TSHR P16473 2/20 0.44
PMP22 Q01453 2/20 0.44
KDM4E B2RXH2 1/20 0.44
CHRM2 P08172 1/20 0.44
ADRA2A P08913 1/20 0.44
ALOX15 P16050 1/20 0.44
DRD1 P21728 1/20 0.44
SLC6A2 P23975 1/20 0.44
SLC6A4 P31645 1/20 0.44
CYP2C19 P33261 1/20 0.44
ADRA1A P35348 1/20 0.44
DRD3 P35462 1/20 0.44
BLM P54132 1/20 0.44
SLC6A3 Q01959 1/20 0.44
HRH3 Q9Y5N1 1/20 0.44

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
SCHEMBL12650480 0.86 TDP1 (0.52) TDP1EYA2APPACELMNA
SCHEMBL1251434 0.86 TDP1 (0.52) TDP1EYA2APPACELMNA
SCHEMBL1114671 0.86 TDP1 (0.52) TDP1EYA2APPACELMNA
SCHEMBL7940823 0.86 TDP1 (0.44) TDP1EYA2APPACELMNA
SCHEMBL1114483 0.84 TDP1 (0.45) TDP1EYA2APPACELMNA
SCHEMBL10066204 0.84 TDP1 (0.45) TDP1EYA2APPACELMNA
SCHEMBL8717500 0.83 TDP1 (0.44) TDP1EYA2APPACELMNA
SCHEMBL16204934 0.82 TDP1 (0.47) TDP1EYA2APPACELMNA
SCHEMBL28636792 0.81 FFAR1 (0.47) LMNATSHRPMP22NFKB1GSTK1
SCHEMBL28287740 0.81 TDP1 (0.50) TDP1EYA2APPACELMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0810989-B1 NOVELLY SUBSTITUTED DTPA DERIVATIVES, METAL COMPLEXES THEREOF, PHARMACEUTICALS CONTAINING THESE COMPLEXES, DIAGNOSTIC AND THERAPEUTIC USES THEREOF AND METHODS FOR PREPARING THE COMPLEXES AND PHARMACEUTICALS SCHERING AG (DE) 1999-08-04 EP claimed
EP-0810989-B1 NOVELLY SUBSTITUTED DTPA DERIVATIVES, METAL COMPLEXES THEREOF, PHARMACEUTICALS CONTAINING THESE COMPLEXES, DIAGNOSTIC AND THERAPEUTIC USES THEREOF AND METHODS FOR PREPARING THE COMPLEXES AND PHARMACEUTICALS SCHERING AG (DE) 1999-08-04 EP disclosed
EP-0810989-A1 NOVELLY SUBSTITUTED DTPA DERIVATIVES, METAL COMPLEXES THEREOF, PHARMACEUTICALS CONTAINING THESE COMPLEXES, DIAGNOSTIC AND THERAPEUTIC USES THEREOF AND METHODS FOR PREPARING THE COMPLEXES AND PHARMACEUTICALS SCHERING AKTIENGESELLSCHAFT (DE) 1997-12-10 EP disclosed
WO-1996026180-A1 NOVELLY SUBSTITUTED DTPA DERIVATIVES, METAL COMPLEXES THEREOF, PHARMACEUTICALS CONTAINING THESE COMPLEXES, DIAGNOSTIC AND THERAPEUTIC USES THEREOF AND METHODS FOR PREPARING THE COMPLEXES AND PHARMACEUTICALS SCHERING AKTIENGESELLSCHAFT (DE) 1996-08-29 WO disclosed