SCHEMBL2236162

SCHEMBL2236162

CCCOCCN(CCP(=O)(OCC)OCC)CCP(=O)(OCC)OCC

nearest known ligand 0.42

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
PPARD Q03181 1/20 0.42
TSHR P16473 3/20 0.39
MEN1 O00255 1/20 0.36
GAA P10253 1/20 0.36
CYP2C9 P11712 1/20 0.36
CYP2C19 P33261 1/20 0.36
KMT2A Q03164 1/20 0.36
CYP3A4 P08684 1/20 0.32
TDP1 Q9NUW8 1/20 0.32
NR1I2 O75469 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
SCHEMBL2233108 0.90 PPARD (0.40) PPARDTSHRMEN1GAACYP2C9
SCHEMBL2233415 0.89 PPARD (0.45) PPARDTSHRMEN1GAACYP2C9
SCHEMBL2234247 0.83 PPARD (0.47) PPARDTSHRMEN1GAACYP2C9
SCHEMBL23786286 0.81 PPARD (0.52) PPARDTSHRCYP3A4TDP1
SCHEMBL2234140 0.79 PPARD (0.42) PPARDTSHRMEN1GAACYP2C9
SCHEMBL2234204 0.77 PPARD (0.41) PPARDTSHRMEN1GAACYP2C9
SCHEMBL9003229 0.77 PPARD (0.52) PPARDTSHRMEN1GAACYP2C9
SCHEMBL2235703 0.76 PPARD (0.44) PPARDTSHRMEN1GAACYP2C9
SCHEMBL7104437 0.76 MEN1 (0.41) TSHRMEN1KMT2ATDP1NR1I2
SCHEMBL29774218 0.76 PPARD (0.47) 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 1 patent. 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