SCHEMBL14844478

SCHEMBL14844478

CCC=CCCOC(=O)C(=O)OCCC=CCC

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADORA3 P0DMS8 2/20 0.44
NR1I2 O75469 2/20 0.44
PTGS2 P35354 2/20 0.44
PGR P06401 1/20 0.44
PDE4D Q08499 1/20 0.44
ALDH1A1 P00352 7/20 0.43
CYP19A1 P11511 4/20 0.43
PPARG P37231 3/20 0.43
OXER1 Q8TDS5 3/20 0.43
MAPT P10636 3/20 0.43
RXRA P19793 2/20 0.43
FFAR1 O14842 2/20 0.43
CYP3A4 P08684 2/20 0.42
ALOX15 P16050 2/20 0.42
HSD17B10 Q99714 2/20 0.42
TDP1 Q9NUW8 2/20 0.42
TSHR P16473 1/20 0.42
LPAR2 Q9HBW0 3/20 0.41
LPAR3 Q9UBY5 3/20 0.41
LPAR1 Q92633 1/20 0.41

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
SCHEMBL14844476 1.00 ADORA3 (0.44) ADORA3NR1I2PTGS2PGRPDE4D
SCHEMBL14992875 0.89 ADORA3 (0.41) ADORA3NR1I2PTGS2PGRPDE4D
SCHEMBL808519 0.89 ADORA3 (0.41) ADORA3NR1I2PTGS2PGRPDE4D
SCHEMBL808520 0.89 ADORA3 (0.41) ADORA3NR1I2PTGS2PGRPDE4D
SCHEMBL6945278 0.86 ADORA3 (0.44) ADORA3NR1I2PTGS2PGRPDE4D
SCHEMBL28231787 0.86 ADORA3 (0.44) ADORA3NR1I2PTGS2PGRPDE4D
SCHEMBL6945280 0.86 ADORA3 (0.44) ADORA3NR1I2PTGS2PGRPDE4D
SCHEMBL9933295 0.86 ADORA3 (0.39) ADORA3NR1I2PTGS2PGRPDE4D
SCHEMBL9322711 0.86 THRB (0.53) ADORA3NR1I2PTGS2PGRPDE4D
SCHEMBL21485375 0.86 ADORA3 (0.39) 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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2748208-B1 PHOTOLABILE LATEX FOR THE RELEASE OF PERFUMES FIRMENICH & CIE (CH) 2016-06-22 EP disclosed
EP-2748208-A1 PHOTOLABILE LATEX FOR THE RELEASE OF PERFUMES Firmenich SA (CH) 2014-07-02 EP disclosed
WO-2013050303-A1 PHOTOLABILE LATEX FOR THE RELEASE OF PERFUMES FIRMENICH SA (CH) 2013-04-11 WO disclosed