SCHEMBL8777311

SCHEMBL8777311

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

nearest known ligand 0.37

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
CA14 Q9ULX7 1/20 0.37
CTSK P43235 3/20 0.36
NR1D1 P20393 3/20 0.34
NR1H3 Q13133 1/20 0.30

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
SCHEMBL19458 0.82 TDP1 (0.42) CA14NR1D1NR1H3
SCHEMBL8134640 0.79 CTSK (0.31) CTSK
SCHEMBL7564036 0.76 NR1D1 (0.36) CA14NR1D1NR1H3
SCHEMBL27420033 0.75 NR1D1 (0.38) CA14NR1D1NR1H3
SCHEMBL438113 0.75 TDP1 (0.58) NR1D1
SCHEMBL29484958 0.75 CA14 (0.38) CA14NR1D1NR1H3
SCHEMBL8412132 0.75 ALOX15 (0.42) CA14NR1D1NR1H3
SCHEMBL10243532 0.75 CTSK (0.46) CA14CTSK
SCHEMBL4621864 0.75 TDP1 (0.58) NR1D1
SCHEMBL7567960 0.75 CHRM2 (0.37) CA14NR1D1NR1H3

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