SCHEMBL8090950

SCHEMBL8090950

COc1ccc(CC(CN(CC(=O)OC(C)(C)C)CC(=O)OC(C)(C)C)N(CCN(CC(=O)OC(C)(C)C)CC(=O)OC(C)(C)C)CC(=O)OC(C)(C)C)cc1

nearest known ligand 0.45

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
NR1D1 P20393 3/20 0.45
LDHA P00338 1/20 0.40
MMP1 P03956 2/20 0.38
CACNA1B Q00975 1/20 0.37
PPARG P37231 1/20 0.36
PPARA Q07869 1/20 0.36
L3MBTL1 Q9Y468 3/20 0.35
OPRM1 P35372 1/20 0.35
OPRD1 P41143 1/20 0.35
OPRK1 P41145 1/20 0.35
ATM Q13315 1/20 0.34
TDP1 Q9NUW8 1/20 0.34
ALDH1A1 P00352 1/20 0.34
GAA P10253 1/20 0.34
SIGMAR1 Q99720 2/20 0.34
SLC6A4 P31645 1/20 0.33

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
SCHEMBL8902337 0.89 NR1D1 (0.42) NR1D1LDHAMMP1CACNA1BL3MBTL1
SCHEMBL8668171 0.89 ACACB (0.37) NR1D1PPARGPPARA
SCHEMBL8091529 0.89 CTSS (0.39) NR1D1OPRM1OPRD1OPRK1
SCHEMBL8099090 0.89 SMN1; SMN2 (0.44) NR1D1ALDH1A1
SCHEMBL8671108 0.84 ACACB (0.40) NR1D1PPARGPPARA
SCHEMBL15044629 0.83 ACACB (0.38) NR1D1ATMALDH1A1
SCHEMBL92706 0.83 ACACB (0.38) NR1D1ATMALDH1A1
SCHEMBL7516386 0.83 PTPN1 (0.41) NR1D1SIGMAR1
SCHEMBL5374479 0.83 CTSS (0.38) NR1D1OPRM1OPRD1OPRK1
SCHEMBL8391033 0.82 NR1D1 (0.46) NR1D1LDHAMMP1PPARGPPARA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6039931-A Derivatized DTPA complexes, pharmaceutical agents containing these compounds, their use, and processes for their production SCHERING AKTIENGESELLSCHAFT (DE) 2000-03-21 US disclosed
US-5798092-A METAL COMPLEXES; CONTRAST AGENTS FOR MEDICAL IMAGING SCHERING AKTIENGESELLSCHAFT (DE) 1998-08-25 US disclosed
US-5695739-A Derivatized DTPA complexes, pharmaceutical agents containing these compounds, their use, and processes for their production SCHERING AKTIENGESELLSCHAFT (DE) 1997-12-09 US disclosed
EP-0405704-B1 DTPA-complexes derivatives, pharmaceutical compositions containing them, their use and process for their preparation SCHERING AG (DE) 1994-12-14 EP disclosed
EP-0405704-A2 DTPA-complexes derivatives, pharmaceutical compositions containing them, their use and process for their preparation SCHERING AKTIENGESELLSCHAFT (DE) 1991-01-02 EP disclosed