SCHEMBL28345643

SCHEMBL28345643

CCOC(=O)/C=C/CCOc1cnc(OCc2ccccc2)cc1I

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 2/20 0.42
FFAR1 O14842 2/20 0.40
RAB9A P51151 2/20 0.39
LMNA P02545 2/20 0.37
L3MBTL1 Q9Y468 1/20 0.37
KDM4E B2RXH2 1/20 0.37
GABRA1 P14867 1/20 0.37
GABRG2 P18507 1/20 0.37
GABRB3 P28472 1/20 0.37
GABRA5 P31644 1/20 0.37
GABRA3 P34903 1/20 0.37
GABRA2 P47869 1/20 0.37
F13A1 P00488 1/20 0.36
TGM2 P21980 1/20 0.36
TGM1 P22735 1/20 0.36
NR1H4 Q96RI1 1/20 0.36
FDPS P14324 1/20 0.36
HCAR2 Q8TDS4 1/20 0.36
AKR1B10 O60218 1/20 0.35
TTR P02766 1/20 0.35

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
SCHEMBL20522606 0.87 PTGER4 (0.43) FFAR1LMNAKDM4EGABRA1GABRG2
SCHEMBL30719897 0.80 FFAR1 (0.39) MAPTFFAR1LMNAL3MBTL1KDM4E
SCHEMBL30719900 0.80 FFAR1 (0.39) MAPTFFAR1LMNAL3MBTL1KDM4E
SCHEMBL31305594 0.80 FFAR1 (0.39) MAPTFFAR1LMNAL3MBTL1KDM4E
SCHEMBL22712757 0.74 GABRP (0.42) MAPTFFAR1KDM4EGABRA1GABRG2
SCHEMBL3688513 0.74 CA12 (0.55) FFAR1RAB9ALMNAKDM4ENR1H4
SCHEMBL3688515 0.74 CA12 (0.55) FFAR1RAB9ALMNAKDM4ENR1H4
SCHEMBL5989565 0.73 LMNA (0.45) MAPTFFAR1RAB9ALMNAAKR1B10
SCHEMBL5989569 0.73 LMNA (0.45) MAPTFFAR1RAB9ALMNAAKR1B10
SCHEMBL5691251 0.73 MAPT (0.63) MAPTRAB9ALMNAL3MBTL1F13A1

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
CN-110678458-A Substituted cyclyl-acetic acid derivatives for the treatment of metabolic disorders 武田药品工业株式会社 2020-01-10 CN disclosed