SCHEMBL19209418

SCHEMBL19209418

CCOC(=O)CCc1cc(OC)ccc1-c1ccc(-c2cccc(C#N)c2)cc1C

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PPARG P37231 2/20 0.44
HRH2 P25021 2/20 0.44
HRH1 P35367 2/20 0.44
TLR8 Q9NR97 1/20 0.41
TLR7 Q9NYK1 1/20 0.41
MAPK14 Q16539 1/20 0.40
MTNR1A P48039 1/20 0.40
MTNR1B P49286 1/20 0.40
CNR2 P34972 1/20 0.40
PTPN1 P18031 2/20 0.39
PDCD1 Q15116 1/20 0.39
CD274 Q9NZQ7 1/20 0.39
FNTA P49354 1/20 0.38
FNTB P49356 1/20 0.38
PLAU P00749 1/20 0.38
ALDH1A1 P00352 3/20 0.38
MAPT P10636 2/20 0.38
TDP1 Q9NUW8 2/20 0.38
P4HB P07237 1/20 0.38
CYP1A2 P05177 2/20 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
SCHEMBL19209427 0.94 PPARG (0.44) PPARGHRH2HRH1TLR8TLR7
SCHEMBL19209453 0.89 FFAR1 (0.45) MAPK14
SCHEMBL19209481 0.84 MTNR1A (0.48) PPARGMTNR1AMTNR1BPTPN1ALDH1A1
SCHEMBL19209490 0.83 FFAR1 (0.47) MAPK14MTNR1AMTNR1B
SCHEMBL35843127 0.81 MTNR1A (0.47) PPARGMTNR1AMTNR1BPTPN1ALDH1A1
SCHEMBL1892714 0.81 MTNR1A (0.47) PPARGMTNR1AMTNR1BPTPN1ALDH1A1
SCHEMBL19209500 0.79 XDH (0.46) PPARGMTNR1AMTNR1BPTPN1ALDH1A1
SCHEMBL19209441 0.78 MTNR1A (0.46) PPARGMTNR1AMTNR1BPTPN1ALDH1A1
SCHEMBL19257207 0.78 MTNR1A (0.45) PPARGMTNR1AMTNR1BPTPN1ALDH1A1
SCHEMBL12660791 0.78 MTNR1A (0.43) PPARGMTNR1AMTNR1BPTPN1ALDH1A1

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
WO-2017134146-A1 GPBP INHIBITORS AND USES AND SCALEABLE SYNTHESIS THEREOF FIBROSTATIN, S.L. (ES) 2017-08-10 WO disclosed