SCHEMBL7542977

SCHEMBL7542977

CC(=O)Oc1cn(CCc2ccc(OCc3ccccc3)cc2)nc1-c1ccccc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FFAR1 O14842 7/20 0.46
FFAR4 Q5NUL3 2/20 0.45
PTGS1 P23219 2/20 0.44
PTGS2 P35354 2/20 0.44
MAOB P27338 1/20 0.43
PPARD Q03181 2/20 0.43
ALDH1A1 P00352 1/20 0.43
HTT P42858 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
L3MBTL1 Q9Y468 1/20 0.43
HRH3 Q9Y5N1 1/20 0.43
NR1H4 Q96RI1 1/20 0.42
AKR1B1 P15121 1/20 0.42
HMOX1 P09601 1/20 0.42
ALOX5 P09917 1/20 0.42
LTB4R Q15722 1/20 0.42
LTB4R2 Q9NPC1 1/20 0.42
MMP12 P39900 1/20 0.41
LTA4H P09960 1/20 0.41
EPHX2 P34913 1/20 0.41

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
SCHEMBL6591860 0.85 FFAR1 (0.61) FFAR1PPARD
SCHEMBL7564649 0.83 MAOB (0.45) FFAR4PTGS1PTGS2MAOBALDH1A1
SCHEMBL5377290 0.81 FFAR1 (0.50) FFAR1FFAR4PPARDALDH1A1HRH3
SCHEMBL5381740 0.79 PPARD (0.43) FFAR1FFAR4PTGS1PTGS2PPARD
SCHEMBL7567690 0.74 CYP19A1 (0.51) PTGS1PTGS2ALDH1A1SMN1; SMN2
SCHEMBL4517358 0.71 FFAR1 (0.64) FFAR1FFAR4PTGS1PTGS2MAOB
SCHEMBL5378962 0.71 KMT2A (0.64) FFAR1PTGS1PTGS2ALDH1A1L3MBTL1
SCHEMBL1068959 0.71 MAOB (0.70) FFAR1FFAR4PTGS1PTGS2MAOB
SCHEMBL5377099 0.70 FFAR1 (0.56) FFAR1FFAR4PPARDALDH1A1AKR1B1
SCHEMBL5372077 0.70 CYP19A1 (0.48) PTGS1PTGS2MAOBALDH1A1HTT

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1228067-A1 5-MEMBERED N-HETEROCYCLIC COMPOUNDS WITH HYPOGYLCEMIC AND HYPOLIPIDEMIC ACTIVITY Takeda Chemical Industries, Ltd. (JP) 2002-08-07 EP disclosed
WO-2001038325-A1 5-MEMBERED N-HETEROCYCLIC COMPOUNDS WITH HYPOGLYCEMIC AND HYPOLIPIDEMIC ACTIVITY TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 2001-05-31 WO disclosed