SCHEMBL7697897

SCHEMBL7697897

CC(C)(C)OC(=O)C1(CCCc2ccccc2)OO1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 2/20 0.42
CA12 O43570 1/20 0.41
CA1 P00915 1/20 0.41
CA7 P43166 1/20 0.41
CA14 Q9ULX7 1/20 0.41
SIGMAR1 Q99720 3/20 0.40
HDAC8 Q9BY41 3/20 0.40
HDAC3 O15379 2/20 0.40
HDAC4 P56524 2/20 0.40
HDAC1 Q13547 2/20 0.40
HDAC7 Q8WUI4 2/20 0.40
HDAC2 Q92769 2/20 0.40
HDAC10 Q969S8 2/20 0.40
HDAC11 Q96DB2 2/20 0.40
HDAC6 Q9UBN7 2/20 0.40
HDAC9 Q9UKV0 2/20 0.40
HDAC5 Q9UQL6 2/20 0.40
MAPK1 P28482 1/20 0.40
ADRA1A P35348 1/20 0.40
SLC6A3 Q01959 1/20 0.40

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
SCHEMBL7277798 0.73 HDAC1 (0.53) POLBSIGMAR1HDAC8HDAC3HDAC4
SCHEMBL10578604 0.72 HDAC1 (0.56) POLBSIGMAR1HDAC8HDAC3HDAC4
SCHEMBL9196120 0.71 MAPT (0.56) POLBHDAC8HDAC3HDAC4HDAC1
SCHEMBL7283510 0.71 FAAH (0.45) POLBCA12CA1CA7CA14
SCHEMBL27586622 0.70 MAPT (0.59) HDAC8HDAC3HDAC4HDAC1HDAC7
SCHEMBL28195142 0.70 LMNA (0.58) POLBSMN1; SMN2LMNAALDH1A1MAPT
SCHEMBL27689037 0.70 MAPT (0.50) POLBSIGMAR1HDAC8HDAC3HDAC4
SCHEMBL28266052 0.70 POLB (0.43) POLBCA12CA1CA7CA14
SCHEMBL7060693 0.69 ALDH1A1 (0.52) POLBCA12CA1CA7CA14
SCHEMBL4583683 0.69 POLB (0.65) POLBSIGMAR1L3MBTL1CTSKMEN1

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