SCHEMBL7697901

SCHEMBL7697901

CC(C)(C)OOOC(=O)CCCCc1ccccc1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 1/20 0.51
RXFP1 Q9HBX9 1/20 0.51
FAAH O00519 3/20 0.49
CES1 P23141 3/20 0.49
ALOX5 P09917 3/20 0.49
HDAC1 Q13547 2/20 0.46
HDAC2 Q92769 2/20 0.46
ADRB2 P07550 1/20 0.46
ADRB1 P08588 1/20 0.46
ADRB3 P13945 1/20 0.46
HDAC3 O15379 1/20 0.46
MAPK1 P28482 1/20 0.46
ADRA1A P35348 1/20 0.46
HDAC4 P56524 1/20 0.46
SLC6A3 Q01959 1/20 0.46
SMN1; SMN2 Q16637 1/20 0.46
HDAC7 Q8WUI4 1/20 0.46
HDAC10 Q969S8 1/20 0.46
HDAC11 Q96DB2 1/20 0.46
HDAC8 Q9BY41 1/20 0.46

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
SCHEMBL19452725 0.88 HDAC1 (0.53) MAPTRXFP1ALOX5HDAC1HDAC2
SCHEMBL7651575 0.84 MAPT (0.66) MAPTRXFP1FAAHCES1ALOX5
SCHEMBL9196120 0.83 MAPT (0.56) MAPTRXFP1FAAHCES1ALOX5
SCHEMBL1845580 0.82 TSHR (0.37) MAPTHDAC1HDAC2MAPK1HDAC6
SCHEMBL27586622 0.81 MAPT (0.59) MAPTRXFP1FAAHCES1ALOX5
SCHEMBL8772358 0.81 TDP1 (0.58) MAPTALOX5HDAC2HDAC8HDAC6
SCHEMBL679714 0.80 DGKA (0.38) MAPTHDAC1HDAC2MAPK1HDAC6
SCHEMBL491916 0.80 DGKA (0.38) MAPTHDAC1HDAC2MAPK1HDAC6
SCHEMBL6666046 0.79 TSHR (0.51) CES1ADRB2ADRB1ADRB3MAPK1
SCHEMBL5669353 0.79 TSHR (0.45) HDAC11TDP1KMT2A

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1003900-B1 A PROCESS FOR THE PREPARATION OF A TERTIARY PERESTER AKZO NOBEL NV (NL) 2002-10-02 EP disclosed
US-6268523-B1 CONTACTING ACYL COMPOUND WITH TERTIARY HYDROPEROXIDE IN PRESENCE OF ENZYME CATALYST TO PRODUCE PERESTER AKZO NOBEL NV (NL) 2001-07-31 US disclosed
EP-1003900-A1 A PROCESS FOR THE PREPARATION OF A TERTIARY PERESTER Akzo Nobel N.V. (NL) 2000-05-31 EP disclosed
WO-1999005305-A1 A PROCESS FOR THE PREPARATION OF A TERTIARY PERESTER AKZO NOBEL N.V. (NL) 1999-02-04 WO disclosed