SCHEMBL7633652

SCHEMBL7633652

CCCCCCc1ccc(C(=O)OOC(=O)OCCC(COC(=O)OOC(=O)c2ccc(CCCCCC)cc2)C(CCOC(=O)OOC(=O)c2ccc(CCCCCC)cc2)COC(=O)OOC(=O)c2ccc(CCCCCC)cc2)cc1

nearest known ligand 0.47

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
THRA P10827 8/20 0.44
THRB P10828 8/20 0.44
RARB P10826 5/20 0.44
MEN1 O00255 2/20 0.44
KMT2A Q03164 2/20 0.44
ALDH1A1 P00352 1/20 0.44
RARA P10276 1/20 0.44
MAPT P10636 1/20 0.44
MTOR P42345 1/20 0.44
PLA2G1B P04054 4/20 0.41
ATG4B Q9Y4P1 4/20 0.41
CYP1A2 P05177 1/20 0.41
TDP1 Q9NUW8 1/20 0.41

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
SCHEMBL7625146 0.99 RARB (0.43) THRATHRBRARBMEN1KMT2A
SCHEMBL7629587 0.95 RARB (0.42) THRATHRBRARBALDH1A1CYP1A2
SCHEMBL7624133 0.94 THRA (0.41) THRATHRBRARBMEN1KMT2A
SCHEMBL7633744 0.94 THRA (0.41) THRATHRBRARBMEN1KMT2A
SCHEMBL7636791 0.93 RARB (0.40) THRATHRBRARBMEN1KMT2A
SCHEMBL7629691 0.93 RARB (0.40) THRATHRBRARBMEN1KMT2A
SCHEMBL7632925 0.91 THRA (0.44) THRATHRBRARBMEN1KMT2A
SCHEMBL7623591 0.90 PLK1 (0.39) THRBKMT2AALDH1A1MAPTCYP1A2
SCHEMBL7629612 0.90 RARB (0.39) THRATHRBRARBALDH1A1CYP1A2
SCHEMBL7633427 0.89 RARB (0.43) THRATHRBRARBMEN1KMT2A

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-1233014-A1 ASYMMETRIC ORGANIC PEROXIDE, CROSSLINKING AGENT COMPRISING THE SAME, AND METHOD OF CROSSLINKING WITH THE SAME NOF CORPORATION (JP) 2002-08-21 EP disclosed