SCHEMBL8935027

SCHEMBL8935027

CC(CO)CC(C)C(=O)c1ccccc1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TRPA1 O75762 2/20 0.52
PGR P06401 1/20 0.47
ADRA2A P08913 1/20 0.47
ADRA2B P18089 1/20 0.47
HTR2A P28223 1/20 0.47
HRH1 P35367 1/20 0.47
KCNH2 Q12809 1/20 0.47
MDM2 Q00987 1/20 0.47
HDAC3 O15379 1/20 0.46
HDAC4 P56524 1/20 0.46
HDAC1 Q13547 1/20 0.46
HDAC7 Q8WUI4 1/20 0.46
HDAC2 Q92769 1/20 0.46
HDAC10 Q969S8 1/20 0.46
HDAC11 Q96DB2 1/20 0.46
HDAC8 Q9BY41 1/20 0.46
HDAC6 Q9UBN7 1/20 0.46
HDAC9 Q9UKV0 1/20 0.46
HDAC5 Q9UQL6 1/20 0.46
LMNA P02545 6/20 0.45

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
SCHEMBL2736655 0.84 L3MBTL1 (0.54) PGRADRA2AADRA2BHTR2AHRH1
SCHEMBL337276 0.84 L3MBTL1 (0.54) PGRADRA2AADRA2BHTR2AHRH1
SCHEMBL2736656 0.84 L3MBTL1 (0.54) PGRADRA2AADRA2BHTR2AHRH1
SCHEMBL8094352 0.82 PGR (0.52) PGRADRA2AADRA2BHTR2AHRH1
Benzoic Acid SCHEMBL27545700 0.81 TSHR (0.56) TRPA1PGRADRA2AADRA2BHTR2A
SCHEMBL31253313 0.81 PGR (0.50) PGRADRA2AADRA2BHTR2AHRH1
SCHEMBL13655442 0.80 BLM (0.47) PGRADRA2AADRA2BHTR2AHRH1
SCHEMBL11268130 0.79 PGR (0.49) TRPA1PGRADRA2AADRA2BHTR2A
Acetophenone SCHEMBL28185290 0.78 PGR (0.47) PGRADRA2AADRA2BHTR2AHRH1
SCHEMBL29081829 0.77 CYP1A2 (0.49) PGRADRA2AADRA2BHTR2AHRH1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0726852-A1 DIRECT THERMAL IMAGING METHOD USING A PROTECTED HEAT-SENSITIVE RECORDING MATERIAL AGFA-GEVAERT N.V. (BE) 1996-08-21 EP disclosed
WO-1995012495-A1 DIRECT THERMAL IMAGING METHOD USING A PROTECTED HEAT-SENSITIVE RECORDING MATERIAL AGFA-GEVAERT NAAMLOZE VENNOOTSCHAP (BE) 1995-05-11 WO disclosed