SCHEMBL1472641

SCHEMBL1472641

CCC=CCC(C)C(=O)OC1CCC(=O)C1

nearest known ligand 0.32

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
AKR1C4 P17516 1/20 0.32
AKR1C3 P42330 1/20 0.32
AKR1C2 P52895 1/20 0.32
THRB P10828 1/20 0.32

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
SCHEMBL2953556 0.77 CA1 (0.39)
SCHEMBL17522504 0.76 THRB (0.40) THRB
SCHEMBL4903365 0.75 ALDH1A1 (0.36) AKR1C4AKR1C3AKR1C2
SCHEMBL28323529 0.73 CYP19A1 (0.35) THRB
SCHEMBL28262962 0.70 CYP2D6 (0.38) THRB
SCHEMBL11795324 0.70 THRB (0.47) AKR1C4AKR1C3AKR1C2THRB
SCHEMBL11795319 0.70 THRB (0.47) AKR1C4AKR1C3AKR1C2THRB
SCHEMBL31412794 0.70 THRB (0.47) AKR1C4AKR1C3AKR1C2THRB
SCHEMBL17892488 0.70 CHRM2 (0.37) THRB
SCHEMBL11547378 0.67 TDP1 (0.40) THRB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20110253584-A1 WATER- AND HEAT-RESISTANT SCRATCH-AND-SNIFF COATING ENCAPSYS, LLC 2011-10-20 US disclosed
US-7915215-B2 Fragrance-delivery composition comprising boron and persulfate ion-crosslinked polyvinyl alcohol microcapsules and method of use thereof APPLETON PAPERS INC. (US) 2011-03-29 US disclosed
US-20100099594-A1 Fragrance-delivery composition comprising boron and persulfate ion-crosslinked polyvinyl alcohol microcapsules and method of use thereof IPS ADHESIVES LLC 2010-04-22 US disclosed
US-20100087351-A1 Perfumes for Linear Citrus Release in Rinse-Off Systems QUEST INTERNATIONAL SERVICES B.V. (NL) 2010-04-08 US disclosed
US-20090010958-A1 Compositions effective in altering the perception of malodor PATUS LTD. (IL) 2009-01-08 US disclosed
US-20070065394-A1 Compositions effective in altering the perception of malodor PATUS LTD. (IL) 2007-03-22 US disclosed