SCHEMBL5374881

SCHEMBL5374881

CCC(=Cc1cn(Cc2ccc(OCc3ccccc3)cc2)cc1-c1ccccc1)C(=O)O

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LTB4R Q15722 2/20 0.47
LTB4R2 Q9NPC1 2/20 0.47
HRH3 Q9Y5N1 4/20 0.45
S1PR5 Q9H228 1/20 0.45
L3MBTL1 Q9Y468 1/20 0.44
PSEN1 P49768 3/20 0.44
PTGES O14684 1/20 0.42
ALOX5 P09917 1/20 0.42
PPARG P37231 1/20 0.42
PTGDR2 Q9Y5Y4 1/20 0.42
ALDH1A1 P00352 2/20 0.42
SMN1; SMN2 Q16637 2/20 0.42
KDM4E B2RXH2 1/20 0.42
MEN1 O00255 1/20 0.42
NPC1 O15118 1/20 0.42
TP53 P04637 1/20 0.42
KMT2A Q03164 1/20 0.42
NPSR1 Q6W5P4 1/20 0.42
GSTP1 P09211 2/20 0.42
NR1H4 Q96RI1 1/20 0.42

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
SCHEMBL5385300 0.91 LTB4R (0.47) LTB4RLTB4R2PSEN1PTGESALOX5
SCHEMBL5377062 0.91 LTB4R (0.46) LTB4RLTB4R2PSEN1PTGESALOX5
SCHEMBL5387808 0.84 FFAR1 (0.55) PPARGMAPT
SCHEMBL5383112 0.81 GSTP1 (0.50) HRH3S1PR5ALDH1A1SMN1; SMN2KDM4E
SCHEMBL5397128 0.81 GAA (0.52) LTB4RLTB4R2HRH3L3MBTL1PSEN1
SCHEMBL6592132 0.81 PTGER3 (0.51) HRH3S1PR5ALDH1A1KDM4EGSTP1
SCHEMBL6592125 0.81 PTGER3 (0.51) HRH3S1PR5ALDH1A1KDM4EGSTP1
SCHEMBL5385882 0.80 PPARG (0.47) LTB4RLTB4R2L3MBTL1PPARGALDH1A1
SCHEMBL5374877 0.80 NR1H4 (0.45) HRH3S1PR5L3MBTL1ALOX5PPARG
SCHEMBL28080889 0.79 GSTP1 (0.55) HRH3S1PR5L3MBTL1ALDH1A1SMN1; SMN2

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-7179823-B1 5-membered n-heterocyclic compounds with hypoglycemic and hypolipidemic activity TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2007-02-20 US disclosed