SCHEMBL2234204

SCHEMBL2234204

CCOP(=O)(CCN(CCOC(C)C)CCP(=O)(OCC)OCC)OCC

nearest known ligand 0.41

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
PPARD Q03181 1/20 0.41
TSHR P16473 2/20 0.38
MEN1 O00255 1/20 0.35
GAA P10253 1/20 0.35
CYP2C9 P11712 1/20 0.35
CYP2C19 P33261 1/20 0.35
KMT2A Q03164 1/20 0.35
TDP1 Q9NUW8 1/20 0.31

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
SCHEMBL2237604 0.90 PPARD (0.39) PPARDTSHRMEN1GAACYP2C9
SCHEMBL2234683 0.82
SCHEMBL2234247 0.82 PPARD (0.47) PPARDTSHRMEN1GAACYP2C9
SCHEMBL2233415 0.80 PPARD (0.45) PPARDTSHRMEN1GAACYP2C9
SCHEMBL16625407 0.77 PPARD (0.41) PPARDMEN1GAACYP2C9CYP2C19
SCHEMBL2236162 0.77 PPARD (0.42) PPARDTSHRMEN1GAACYP2C9
SCHEMBL9003229 0.75 PPARD (0.52) PPARDTSHRMEN1GAACYP2C9
SCHEMBL2235703 0.75 PPARD (0.44) PPARDTSHRMEN1GAACYP2C9
SCHEMBL16625359 0.74 PPARD (0.63) PPARDTSHRMEN1GAACYP2C9
SCHEMBL8113767 0.74 PPARD (0.63) PPARDTSHRMEN1GAACYP2C9

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1973923-B1 INTERMEDIATE COMPOUND OF TECHNETIUM NITRIDE COMPLEX FOR RADIODIAGNOSTIC IMAGING NIHON MEDIPHYSICS CO LTD (JP) 2011-08-17 EP disclosed
EP-1973923-A1 INTERMEDIATE COMPOUND OF TECHNETIUM NITRIDE COMPLEX FOR RADIODIAGNOSTIC IMAGING NIHON MEDI-PHYSICS CO., LTD. (JP) 2008-10-01 EP disclosed
WO-2007083395-A1 INTERMEDIATE COMPOUND OF TECHNETIUM NITRIDE COMPLEX FOR RADIODIAGNOSTIC IMAGING NIHON MEDI-PHYSICS CO., LTD. (JP) 2007-07-26 WO disclosed