SCHEMBL22668554

SCHEMBL22668554

CO/N=C(/COc1ccc(COc2ccc(CCC=O)cc2)cc1)c1ccccc1

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FFAR1 O14842 7/20 0.62
ALDH1A1 P00352 3/20 0.43
SMN1; SMN2 Q16637 3/20 0.43
HTT P42858 2/20 0.43
L3MBTL1 Q9Y468 1/20 0.43
FFAR4 Q5NUL3 2/20 0.43
PLA2G4B P0C869 2/20 0.42
MAPT P10636 2/20 0.42
RAB9A P51151 2/20 0.42
GAA P10253 1/20 0.42
MAOB P27338 1/20 0.41
LTA4H P09960 1/20 0.41
EPHX2 P34913 1/20 0.41
MEN1 O00255 1/20 0.41
BCHE P06276 1/20 0.41
KMT2A Q03164 1/20 0.41
KDM4E B2RXH2 1/20 0.41
HPGD P15428 1/20 0.41
NPC1 O15118 1/20 0.40
POLB P06746 1/20 0.40

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
SCHEMBL10267410 0.86 FFAR1 (0.65) FFAR1ALDH1A1SMN1; SMN2HTTL3MBTL1
SCHEMBL15238969 0.86 FFAR1 (0.65) FFAR1ALDH1A1SMN1; SMN2HTTL3MBTL1
SCHEMBL22668029 0.86 FFAR1 (0.64) FFAR1ALDH1A1SMN1; SMN2HTTL3MBTL1
SCHEMBL22668261 0.86 FFAR1 (0.64) FFAR1ALDH1A1SMN1; SMN2HTTL3MBTL1
SCHEMBL22668032 0.85 FFAR1 (0.70) FFAR1FFAR4
SCHEMBL437124 0.85 FFAR1 (0.70) FFAR1FFAR4
SCHEMBL437123 0.85 FFAR1 (0.70) FFAR1FFAR4
SCHEMBL22668014 0.85 FFAR1 (0.46) FFAR1ALDH1A1SMN1; SMN2HTTL3MBTL1
SCHEMBL15239401 0.84 FFAR1 (0.76) FFAR1ALDH1A1SMN1; SMN2HTTL3MBTL1
SCHEMBL22653334 0.84 FFAR1 (0.69) FFAR1ALDH1A1SMN1; SMN2HTTL3MBTL1

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-2595952-B1 AGONISTS OF GPR40 CONNEXIOS LIFE SCIENCES PVT LTD (IN) 2020-11-18 EP disclosed