SCHEMBL2639724

SCHEMBL2639724

CCC=CCCOC(=O)[C@@H](C)CC

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADORA3 P0DMS8 2/20 0.39
NR1I2 O75469 2/20 0.39
PTGS2 P35354 2/20 0.39
PGR P06401 1/20 0.39
PDE4D Q08499 1/20 0.39
ALDH1A1 P00352 6/20 0.37
MAPT P10636 4/20 0.37
CYP19A1 P11511 3/20 0.37
PPARG P37231 3/20 0.37
OXER1 Q8TDS5 3/20 0.37
RXRA P19793 2/20 0.37
FFAR1 O14842 2/20 0.37
CYP3A4 P08684 2/20 0.37
ALOX15 P16050 2/20 0.37
HSD17B10 Q99714 2/20 0.37
TDP1 Q9NUW8 2/20 0.37
TSHR P16473 1/20 0.37
LPAR2 Q9HBW0 2/20 0.36
LPAR3 Q9UBY5 2/20 0.36
LPAR1 Q92633 1/20 0.36

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
SCHEMBL2639723 1.00 ADORA3 (0.39) ADORA3NR1I2PTGS2PGRPDE4D
SCHEMBL309638 1.00 ADORA3 (0.39) ADORA3NR1I2PTGS2PGRPDE4D
SCHEMBL8954842 1.00 ADORA3 (0.39) ADORA3NR1I2PTGS2PGRPDE4D
SCHEMBL30879530 1.00 ADORA3 (0.39) ADORA3NR1I2PTGS2PGRPDE4D
SCHEMBL2039579 1.00 ADORA3 (0.39) ADORA3NR1I2PTGS2PGRPDE4D
SCHEMBL309639 1.00 ADORA3 (0.39) ADORA3NR1I2PTGS2PGRPDE4D
SCHEMBL1866729 0.93 ALDH1A1 (0.39) ADORA3NR1I2PTGS2PGRPDE4D
SCHEMBL18076480 0.89 HCAR2 (0.33) ALOX15
SCHEMBL18076479 0.89 HCAR2 (0.33) ALOX15
SCHEMBL8136373 0.87 LPAR2 (0.47) ADORA3NR1I2PTGS2PGRPDE4D

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
JP-4739231-B2 2011-08-03 JP claimed
EP-1716159-A2 CYCLIC SILOXANE COMPOSITIONS FOR THE RELEASE OF ACTIVE INGREDIENTS General Electronic Company (US) 2006-11-02 EP claimed
EP-1697386-A1 ACTIVE INGREDIENT-RELEASING CYCLIC SILOXANES General Electric Company A Corporation of the State of New York (US) 2006-09-06 EP claimed
WO-2005066187-A1 ACTIVE INGREDIENT-RELEASING CYCLIC SILOXANES GENERAL ELECTRIC COMPANY (US) 2005-07-21 WO claimed
WO-2005066186-A2 CYCLIC SILOXANE COMPOSITIONS FOR THE RELEASE OF ACTIVE INGREDIENTS GENERAL ELECTRIC COMPANY (US) 2005-07-21 WO claimed
EP-1697386-A1 ACTIVE INGREDIENT-RELEASING CYCLIC SILOXANES General Electric Company A Corporation of the State of New York (US) 2006-09-06 EP disclosed
WO-2005066187-A1 ACTIVE INGREDIENT-RELEASING CYCLIC SILOXANES GENERAL ELECTRIC COMPANY (US) 2005-07-21 WO disclosed
US-5496580-A ADDING ESTERS OF 2-METHYLBUTYRIC ACID TAKASAGO INTERNATIONAL CORPORATION (JP) 1996-03-05 US disclosed