SCHEMBL8875240

SCHEMBL8875240

CCN(CCN(CCN(CC(=O)OC(C)(C)C)CC(C(=O)OC(C)(C)C)C(=O)OC(C)(C)C)Cc1ccccc1)CC(=O)OC(C)(C)C

nearest known ligand 0.40

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
AKT1 P31749 2/20 0.40
CHRM2 P08172 2/20 0.39
CHRM1 P11229 2/20 0.39
CHRM3 P20309 2/20 0.39
CHRM4 P08173 1/20 0.39
CHRM5 P08912 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
POLB P06746 2/20 0.38
NR1D1 P20393 4/20 0.37
BCHE P06276 1/20 0.37
ACHE P22303 1/20 0.37
NR1H3 Q13133 1/20 0.37
CTSL P07711 1/20 0.36
CTSB P07858 1/20 0.36
CTSS P25774 1/20 0.36
MEN1 O00255 1/20 0.36
KMT2A Q03164 1/20 0.36

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
SCHEMBL8137127 0.97 AKT1 (0.40) AKT1CHRM2CHRM1CHRM3CHRM4
SCHEMBL8120285 0.96 AKT1 (0.40) AKT1CHRM2CHRM1CHRM3CHRM4
SCHEMBL8134806 0.90 SYK (0.40) CHRM2CHRM1CHRM3CHRM4CHRM5
SCHEMBL8132756 0.89 SYK (0.40) CHRM2CHRM1CHRM3CHRM4CHRM5
SCHEMBL5556101 0.86 CCR6 (0.39) CHRM2CHRM1CHRM3CHRM4CHRM5
SCHEMBL8135274 0.83 TDP1 (0.34) CHRM2CHRM1CHRM3CHRM4CHRM5
SCHEMBL23130693 0.83 AKT1 (0.50) AKT1NR1D1NR1H3CTSLCTSB
SCHEMBL8018235 0.83 AKT1 (0.50) AKT1NR1D1NR1H3CTSLCTSB
SCHEMBL8130601 0.82 TDP1 (0.36) CHRM2CHRM1CHRM3CHRM4CHRM5
SCHEMBL7203307 0.82 CHRM2 (0.33) CHRM2CHRM1CHRM3CHRM4CHRM5

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
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
US-5514810-A Process for the production of DTPA-tetraesters of terminal carboxylic acids SCHERING AKTIENGESELLSCHAFT (DE) 1996-05-07 US disclosed