SCHEMBL7629904

SCHEMBL7629904

[CH2]CCC[C](OOC(=O)c1ccc(CC)cc1)OOC(=O)c1ccc(CC)cc1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.44
PLK1 P53350 1/20 0.41
TDP1 Q9NUW8 1/20 0.40
RXRA P19793 2/20 0.39
RXRB P28702 2/20 0.39
TAS1R3 Q7RTX0 1/20 0.39
TAS1R1 Q7RTX1 1/20 0.39
CYP4A11 Q02928 2/20 0.37
LMNA P02545 2/20 0.37
POLB P06746 2/20 0.37
LOXL2 Q9Y4K0 1/20 0.37
CYP4F2 P78329 1/20 0.36
F2 P00734 1/20 0.36
MEN1 O00255 2/20 0.36
KMT2A Q03164 2/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
GAA P10253 1/20 0.35
MAPT P10636 1/20 0.35
HDAC3 O15379 1/20 0.35
HDAC4 P56524 1/20 0.35

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
SCHEMBL7632222 0.95 ALDH1A1 (0.43) ALDH1A1PLK1TDP1RXRARXRB
SCHEMBL7632491 0.94 ALDH1A1 (0.42) ALDH1A1PLK1TDP1RXRARXRB
SCHEMBL7633219 0.94 ALDH1A1 (0.42) ALDH1A1PLK1TDP1RXRARXRB
SCHEMBL7631258 0.94 ALDH1A1 (0.42) ALDH1A1PLK1TDP1RXRARXRB
SCHEMBL7629725 0.94 ALDH1A1 (0.42) ALDH1A1PLK1TDP1RXRARXRB
SCHEMBL7627535 0.94 ALDH1A1 (0.42) ALDH1A1PLK1TDP1RXRARXRB
SCHEMBL7632754 0.94 ALDH1A1 (0.42) ALDH1A1PLK1TDP1RXRARXRB
SCHEMBL7623477 0.90 ALDH1A1 (0.47) ALDH1A1PLK1TDP1RXRARXRB
SCHEMBL7634887 0.90 THRB (0.45) ALDH1A1PLK1CYP4A11POLBCYP4F2
SCHEMBL7630380 0.88 RARB (0.50) ALDH1A1PLK1CYP4A11CYP4F2MEN1

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