SCHEMBL7631258

SCHEMBL7631258

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

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.42
PLK1 P53350 1/20 0.39
TDP1 Q9NUW8 1/20 0.38
TAS1R3 Q7RTX0 1/20 0.37
TAS1R1 Q7RTX1 1/20 0.37
RXRA P19793 1/20 0.37
RXRB P28702 1/20 0.37
HDAC3 O15379 2/20 0.36
HDAC4 P56524 1/20 0.36
HDAC1 Q13547 1/20 0.36
HDAC7 Q8WUI4 1/20 0.36
HDAC2 Q92769 1/20 0.36
HDAC10 Q969S8 1/20 0.36
HDAC11 Q96DB2 1/20 0.36
HDAC8 Q9BY41 1/20 0.36
HDAC6 Q9UBN7 1/20 0.36
HDAC9 Q9UKV0 1/20 0.36
HDAC5 Q9UQL6 1/20 0.36
CYP4A11 Q02928 2/20 0.36
POLB P06746 2/20 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
SCHEMBL7633219 1.00 ALDH1A1 (0.42) ALDH1A1PLK1TDP1TAS1R3TAS1R1
SCHEMBL7627535 1.00 ALDH1A1 (0.42) ALDH1A1PLK1TDP1TAS1R3TAS1R1
SCHEMBL7632491 1.00 ALDH1A1 (0.42) ALDH1A1PLK1TDP1TAS1R3TAS1R1
SCHEMBL7632754 1.00 ALDH1A1 (0.42) ALDH1A1PLK1TDP1TAS1R3TAS1R1
SCHEMBL7629725 1.00 ALDH1A1 (0.42) ALDH1A1PLK1TDP1TAS1R3TAS1R1
SCHEMBL7632222 0.98 ALDH1A1 (0.43) ALDH1A1PLK1TDP1TAS1R3TAS1R1
SCHEMBL7629904 0.94 ALDH1A1 (0.44) ALDH1A1PLK1TDP1TAS1R3TAS1R1
SCHEMBL7635959 0.90 THRB (0.43) ALDH1A1PLK1CYP4A11CYP4F2MEN1
SCHEMBL7635448 0.90 THRB (0.43) ALDH1A1PLK1CYP4A11CYP4F2MEN1
SCHEMBL7624214 0.90 THRB (0.43) 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