SCHEMBL2237604

SCHEMBL2237604

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

nearest known ligand 0.39

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
PPARD Q03181 1/20 0.39
KDM4E B2RXH2 1/20 0.37
TSHR P16473 1/20 0.35
MEN1 O00255 1/20 0.33
GAA P10253 1/20 0.33
CYP2C9 P11712 1/20 0.33
CYP2C19 P33261 1/20 0.33
KMT2A Q03164 1/20 0.33
TDP1 Q9NUW8 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
SCHEMBL2234204 0.90 PPARD (0.41) PPARDTSHRMEN1GAACYP2C9
SCHEMBL2234277 0.83 KDM4E (0.38) KDM4E
SCHEMBL2235703 0.83 PPARD (0.44) PPARDTSHRMEN1GAACYP2C9
SCHEMBL2234140 0.81 PPARD (0.42) PPARDTSHRMEN1GAACYP2C9
SCHEMBL2233108 0.79 PPARD (0.40) PPARDTSHRMEN1GAACYP2C9
SCHEMBL17019844 0.76 PPARD (0.44) PPARDTSHRMEN1GAACYP2C9
SCHEMBL17019847 0.76 PPARD (0.59) PPARDTSHRMEN1GAACYP2C9
SCHEMBL29774218 0.75 PPARD (0.47) PPARDTSHRMEN1GAACYP2C9
SCHEMBL2234247 0.75 PPARD (0.47) PPARDTSHRMEN1GAACYP2C9
SCHEMBL2233415 0.74 PPARD (0.45) 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