SCHEMBL16995167

SCHEMBL16995167

CC/C=C\C/C=C\C/C=C\CCCC(=O)OC

nearest known ligand 0.72

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADORA3 P0DMS8 2/20 0.72
NR1I2 O75469 2/20 0.72
PTGS2 P35354 2/20 0.72
PGR P06401 1/20 0.72
PDE4D Q08499 1/20 0.72
ALDH1A1 P00352 6/20 0.65
OXER1 Q8TDS5 5/20 0.65
CYP19A1 P11511 4/20 0.65
F7 P08709 3/20 0.65
F3 P13726 3/20 0.65
PPARG P37231 3/20 0.65
PTGS1 P23219 2/20 0.65
KMT2A Q03164 2/20 0.65
PPARD Q03181 2/20 0.65
PPARA Q07869 2/20 0.65
RXRA P19793 2/20 0.65
CYP3A4 P08684 2/20 0.63
ALOX15 P16050 2/20 0.63
HSD17B10 Q99714 2/20 0.63
TDP1 Q9NUW8 2/20 0.63

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
SCHEMBL13129422 1.00 ADORA3 (0.72) ADORA3NR1I2PTGS2PGRPDE4D
SCHEMBL983228 1.00 ADORA3 (0.72) ADORA3NR1I2PTGS2PGRPDE4D
SCHEMBL983231 1.00 ADORA3 (0.72) ADORA3NR1I2PTGS2PGRPDE4D
SCHEMBL13921384 1.00 ADORA3 (0.72) ADORA3NR1I2PTGS2PGRPDE4D
SCHEMBL983229 1.00 ADORA3 (0.72) ADORA3NR1I2PTGS2PGRPDE4D
SCHEMBL31720876 0.98 ADORA3 (0.70) ADORA3NR1I2PTGS2PGRPDE4D
SCHEMBL7712920 0.95 ALDH1A1 (0.71) ADORA3NR1I2PTGS2PGRPDE4D
SCHEMBL6930194 0.95 ALDH1A1 (0.71) ADORA3NR1I2PTGS2PGRPDE4D
SCHEMBL14242243 0.95 ALDH1A1 (0.71) ADORA3NR1I2PTGS2PGRPDE4D
SCHEMBL6930187 0.95 ALDH1A1 (0.71) 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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2504311-B1 ARACHIDONIC ACID ANALOGS AND METHODS FOR ANALGESIC TREATMENT USING SAME CYTOMETIX INC (US) 2015-08-12 EP disclosed