SCHEMBL13480702

SCHEMBL13480702

CC/C=C\C=C/CC(=O)OCC

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MGAM O43451 1/20 0.46
GAA P10253 1/20 0.46
SI P14410 1/20 0.46
MGAM2 Q2M2H8 1/20 0.46
NR1I2 O75469 1/20 0.46
PGR P06401 1/20 0.46
ADORA3 P0DMS8 1/20 0.46
PTGS2 P35354 1/20 0.46
PDE4D Q08499 1/20 0.46
ALDH1A1 P00352 4/20 0.43
HSD17B10 Q99714 2/20 0.43
ALOX15 P16050 2/20 0.43
CYP3A4 P08684 1/20 0.43
TSHR P16473 1/20 0.43
TDP1 Q9NUW8 1/20 0.43
TRPA1 O75762 2/20 0.43
NPSR1 Q6W5P4 1/20 0.42
HCAR2 Q8TDS4 1/20 0.39
GLO1 Q04760 1/20 0.38
CYP1A2 P05177 1/20 0.38

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
SCHEMBL27579524 1.00 MGAM (0.46) MGAMGAASIMGAM2NR1I2
SCHEMBL148959 0.86 NR1I2 (0.53) MGAMGAASIMGAM2NR1I2
SCHEMBL148958 0.86 NR1I2 (0.53) MGAMGAASIMGAM2NR1I2
SCHEMBL1171487 0.86 NR1I2 (0.53) MGAMGAASIMGAM2NR1I2
SCHEMBL27558896 0.85 MGAM (0.44) MGAMGAASIMGAM2NR1I2
SCHEMBL6708068 0.84 GAA (0.57) MGAMGAASIMGAM2NR1I2
SCHEMBL6647774 0.84 GAA (0.57) MGAMGAASIMGAM2NR1I2
SCHEMBL13931973 0.83 GAA (0.46) MGAMGAASIMGAM2NR1I2
SCHEMBL5347392 0.81 GAA (0.44) MGAMGAASIMGAM2NR1I2
SCHEMBL5347391 0.81 GAA (0.44) MGAMGAASIMGAM2NR1I2

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
US-7655253-B2 A synthetic pheromone composition comprising 11,13 hexadecadienal and 3,6,9,12,15 tricosapentaene; further comprising 3,6,9,12,15 pentacosapentaene,11,13 hexadecadien-1-ol, ethyl 11,13 hexadecadienoate, 13 hexadecenal, ethylpalmitate 11,13 hexadecadienyl acetate and hexadecyl acetate; insect pest trap BEDOUKIAN RESEARCH, INC. (US) 2010-02-02 US disclosed