SCHEMBL7629612

SCHEMBL7629612

CCCCc1ccc(C(=O)OOC(=O)OCCC(COC(=O)OOC(=O)c2ccc(CCCC)cc2)C(COC(=O)OOC(=O)c2ccc(CCCC)cc2)C(COC(=O)OOC(=O)c2ccc(CCCC)cc2)C(CCOC(=O)OOC(=O)c2ccc(CCCC)cc2)COC(=O)OOC(=O)c2ccc(CCCC)cc2)cc1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RARB P10826 4/20 0.39
PLK1 P53350 1/20 0.39
THRA P10827 2/20 0.39
THRB P10828 2/20 0.39
AVPR2 P30518 1/20 0.37
OXTR P30559 1/20 0.37
AVPR1A P37288 1/20 0.37
LMNA P02545 2/20 0.36
CYP1A2 P05177 2/20 0.36
TSHR P16473 2/20 0.36
CYP2C19 P33261 2/20 0.36
CYP4A11 Q02928 2/20 0.36
ESR1 P03372 1/20 0.36
CYP2D6 P10635 1/20 0.36
MAPK1 P28482 1/20 0.36
NR1H2 P55055 1/20 0.36
RNASEL Q05823 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
HPGD P15428 2/20 0.36
ALDH1A1 P00352 1/20 0.36

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
SCHEMBL7636791 0.97 RARB (0.40) RARBTHRATHRBCYP4A11ALDH1A1
SCHEMBL7633744 0.96 THRA (0.41) RARBTHRATHRBCYP1A2ALDH1A1
SCHEMBL7629691 0.94 RARB (0.40) RARBTHRATHRBCYP4A11ALDH1A1
SCHEMBL7629587 0.94 RARB (0.42) RARBPLK1THRATHRBLMNA
SCHEMBL7624133 0.93 THRA (0.41) RARBTHRATHRBCYP1A2ALDH1A1
SCHEMBL7630612 0.93 PLK1 (0.37) PLK1THRBAVPR2OXTRAVPR1A
SCHEMBL7631059 0.91 PLK1 (0.37) PLK1THRBAVPR2OXTRAVPR1A
SCHEMBL7625146 0.91 RARB (0.43) RARBTHRATHRBCYP4A11ALDH1A1
SCHEMBL7633652 0.90 THRA (0.44) RARBTHRATHRBCYP1A2ALDH1A1
SCHEMBL7627390 0.89 ALDH1A1 (0.37) PLK1LMNATSHRESR1CYP2D6

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