SCHEMBL5376873

SCHEMBL5376873

CCC(=Cc1cn(Cc2ccc(OCc3ccccc3)cc2)nc1OCc1ccc(OCc2ccccc2)cc1)C(=O)O

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGDR2 Q9Y5Y4 2/20 0.46
LTB4R Q15722 2/20 0.46
LTB4R2 Q9NPC1 2/20 0.46
HRH3 Q9Y5N1 3/20 0.44
PSEN1 P49768 2/20 0.43
L3MBTL1 Q9Y468 1/20 0.43
HDAC1 Q13547 1/20 0.42
S1PR5 Q9H228 1/20 0.42
PTGES O14684 1/20 0.42
ALOX5 P09917 1/20 0.42
PPARG P37231 1/20 0.42
SMN1; SMN2 Q16637 4/20 0.41
ALDH1A1 P00352 2/20 0.41
NPC1 O15118 2/20 0.41
KDM4E B2RXH2 1/20 0.41
MEN1 O00255 1/20 0.41
TP53 P04637 1/20 0.41
KMT2A Q03164 1/20 0.41
NPSR1 Q6W5P4 1/20 0.41
NR1H4 Q96RI1 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
SCHEMBL5377146 0.95 LTB4R (0.44) PTGDR2LTB4RLTB4R2PSEN1L3MBTL1
SCHEMBL5397128 0.88 GAA (0.52) PTGDR2LTB4RLTB4R2HRH3PSEN1
SCHEMBL5380793 0.86 FFAR1 (0.52) PPARGMAPT
SCHEMBL5381943 0.84 SMN1; SMN2 (0.50) PTGDR2LTB4RLTB4R2HRH3PSEN1
SCHEMBL5372019 0.81 FFAR1 (0.40) PPARGSMN1; SMN2KMT2ANPSR1MAPT
SCHEMBL5372207 0.81 SMN1; SMN2 (0.50) PTGDR2HRH3HDAC1S1PR5SMN1; SMN2
SCHEMBL6593156 0.81 GAA (0.58) PTGDR2HRH3HDAC1S1PR5SMN1; SMN2
SCHEMBL6593163 0.81 GAA (0.58) PTGDR2HRH3HDAC1S1PR5SMN1; SMN2
SCHEMBL5376871 0.80 PTGDR2 (0.47) PTGDR2L3MBTL1SMN1; SMN2ALDH1A1NPC1
SCHEMBL5397552 0.79 FFAR1 (0.48) PPARG

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