SCHEMBL7948027

SCHEMBL7948027

CCOC(=O)CC[C@@H](C(=O)OCC)N(CCN(CC(=O)O)CC(=O)O)CCN(CC(=O)O)CC(=O)O

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 2/20 0.40
L3MBTL1 Q9Y468 2/20 0.40
EYA2 O00167 1/20 0.40
APP P05067 1/20 0.40
ACE P12821 1/20 0.40
BLM P54132 2/20 0.39
PMP22 Q01453 2/20 0.39
KDM4E B2RXH2 2/20 0.39
LMNA P02545 1/20 0.39
CHRM2 P08172 1/20 0.39
ADRA2A P08913 1/20 0.39
ALOX15 P16050 1/20 0.39
TSHR P16473 1/20 0.39
DRD1 P21728 1/20 0.39
SLC6A2 P23975 1/20 0.39
SLC6A4 P31645 1/20 0.39
CYP2C19 P33261 1/20 0.39
ADRA1A P35348 1/20 0.39
DRD3 P35462 1/20 0.39
SLC6A3 Q01959 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
SCHEMBL7950550 0.81 CA1 (0.41) L3MBTL1LMNAKMT2ASMN1; SMN2CA1
SCHEMBL9734583 0.78 L3MBTL1 (0.49) TDP1L3MBTL1KDM4ELMNAALOX15
SCHEMBL14578016 0.77 CA12 (0.39) L3MBTL1TSHRKMT2APOLBSMN1; SMN2
SCHEMBL5850824 0.76 TDP1 (0.58) TDP1EYA2APPACEBLM
SCHEMBL5850408 0.76 TDP1 (0.58) TDP1EYA2APPACEBLM
SCHEMBL2164568 0.76 TDP1 (0.58) TDP1EYA2APPACEBLM
SCHEMBL15107997 0.75 ALOX5 (0.41) L3MBTL1LMNACA1CA2ALOX5
SCHEMBL12191709 0.74 TDP1 (0.60) TDP1EYA2APPACEBLM
SCHEMBL8913177 0.74 TDP1 (0.60) TDP1EYA2APPACEBLM
SCHEMBL15741243 0.74 TDP1 (0.60) TDP1EYA2APPACEBLM

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6254850-B1 POLYCARBOXYALKYLAMINOALKANES FOR COMPLEXES SCHERING AKTIENGESELLSCHAFT (DE) 2001-07-03 US disclosed
US-6040432-A Metal complexes, of DTPA derivatives suitable for use in diagnosis and therapy SCHERING AKTIENGESELLSCHAFT (DE) 2000-03-21 US disclosed