SCHEMBL8777364

SCHEMBL8777364

CC(C)(C)OC(=O)CN(CCN(CCN(CC(=O)OC(C)(C)C)C(CCCCNC(=O)OCc1ccccc1)C(=O)OC(C)(C)C)CC(=O)O)CC(=O)OC(C)(C)C

nearest known ligand 0.50

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
FOLH1 Q04609 6/20 0.50
MAPT P10636 1/20 0.49
TPSAB1 Q15661 2/20 0.45
TPSD1 Q9BZJ3 2/20 0.45
TPSG1 Q9NRR2 2/20 0.45
ABCB1 P08183 1/20 0.44
HTT P42858 1/20 0.43
KLK7 P49862 1/20 0.43
KLK5 Q9Y337 1/20 0.43
ITGB3 P05106 1/20 0.42
ITGA2B P08514 1/20 0.42

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
SCHEMBL7511729 0.94 MAPT (0.53) FOLH1MAPTTPSAB1TPSD1TPSG1
SCHEMBL4541834 0.90 MAPT (0.56) FOLH1MAPTTPSAB1TPSD1TPSG1
SCHEMBL1882392 0.90 MAPT (0.56) FOLH1MAPTTPSAB1TPSD1TPSG1
SCHEMBL6229809 0.89 MAPT (0.52) FOLH1MAPTTPSAB1TPSD1TPSG1
SCHEMBL15227896 0.83 MAPT (0.50) FOLH1MAPTTPSAB1TPSD1TPSG1
SCHEMBL464495 0.82 TGM2 (0.53) FOLH1MAPTTPSAB1TPSD1TPSG1
SCHEMBL31490054 0.82 HTT (0.54) FOLH1MAPTTPSAB1TPSD1TPSG1
SCHEMBL8874523 0.81 ITGA4 (0.40) MAPTKLK5
SCHEMBL8579974 0.80 CTSK (0.40)
SCHEMBL7156418 0.80 SMN1; SMN2 (0.52) MAPTHTT

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
EP-0810990-A1 SUBSTITUTED DTPA MONOAMIDES OF CENTRAL CARBOXYLIC ACIDS AND 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
US-5679852-A Process for the production of DTPA-monoamides of the central carboxylic acid and their use as pharmaceutical agents SCHERING AKTIENGESELLSCHAFT (DE) 1997-10-21 US disclosed
US-5676923-A SOLUBLE, STABLE, ORGAN-SPECIFIC NUCLEAR MAGNETIC RESONANCE CONTRAST AGENT SCHERING AKTIENGESELLSCHAFT (DE) 1997-10-14 US disclosed
US-5676926-A Process for the production of DTPA-tetraesters of terminal carboxylic acids SCHERING AKTIENGESELLSCHAFT (DE) 1997-10-14 US disclosed
WO-1996026182-A1 SUBSTITUTED DTPA MONOAMIDES OF CENTRAL CARBOXYLIC ACIDS AND 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
US-5514810-A Process for the production of DTPA-tetraesters of terminal carboxylic acids SCHERING AKTIENGESELLSCHAFT (DE) 1996-05-07 US disclosed