SCHEMBL7630612

SCHEMBL7630612

CCCc1ccc(C(=O)OOC(=O)OCCC(COC(=O)OOC(=O)c2ccc(CCC)cc2)C(COC(=O)OOC(=O)c2ccc(CCC)cc2)C(COC(=O)OOC(=O)c2ccc(CCC)cc2)C(CCOC(=O)OOC(=O)c2ccc(CCC)cc2)COC(=O)OOC(=O)c2ccc(CCC)cc2)cc1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PLK1 P53350 1/20 0.37
TAS1R3 Q7RTX0 1/20 0.36
TAS1R1 Q7RTX1 1/20 0.36
THRB P10828 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.35
AVPR2 P30518 1/20 0.35
OXTR P30559 1/20 0.35
AVPR1A P37288 1/20 0.35
CYP4F2 P78329 1/20 0.35
CYP4A11 Q02928 1/20 0.35
ALDH1A1 P00352 4/20 0.34
POLB P06746 2/20 0.34
CTDSP1 Q9GZU7 2/20 0.34
ESR1 P03372 2/20 0.34
CHRM1 P11229 1/20 0.34
TSHR P16473 1/20 0.34
SLC6A2 P23975 1/20 0.34
KDR P35968 1/20 0.34
TDP1 Q9NUW8 1/20 0.34
KDM4E B2RXH2 1/20 0.34

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
SCHEMBL7631059 0.98 PLK1 (0.37) PLK1TAS1R3TAS1R1THRBL3MBTL1
SCHEMBL7623591 0.94 PLK1 (0.39) PLK1TAS1R3TAS1R1THRBL3MBTL1
SCHEMBL7629612 0.93 RARB (0.39) PLK1THRBAVPR2OXTRAVPR1A
SCHEMBL7636791 0.92 RARB (0.40) THRBCYP4F2CYP4A11ALDH1A1MAPT
SCHEMBL7627390 0.91 ALDH1A1 (0.37) PLK1TAS1R3TAS1R1L3MBTL1ALDH1A1
SCHEMBL7633744 0.91 THRA (0.41) THRBALDH1A1TDP1MAPTKMT2A
SCHEMBL7629691 0.90 RARB (0.40) THRBCYP4F2CYP4A11ALDH1A1MAPT
SCHEMBL7628397 0.89 ALDH1A1 (0.37) PLK1TAS1R3TAS1R1L3MBTL1ALDH1A1
SCHEMBL7624133 0.89 THRA (0.41) THRBALDH1A1TDP1MAPTKMT2A
SCHEMBL7629587 0.87 RARB (0.42) PLK1THRBCYP4F2CYP4A11ALDH1A1

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