SCHEMBL3113545

SCHEMBL3113545

NC(=O)CCCc1cccc(-c2ccccc2)c1-c1ccccc1

nearest known ligand 0.44

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
PTGER1 P34995 3/20 0.44
PTGER4 P35408 3/20 0.44
PTGER3 P43115 3/20 0.44
PTGER2 P43116 3/20 0.44
FOLH1 Q04609 1/20 0.44
KMT2A Q03164 1/20 0.42
BCAT2 O15382 1/20 0.42
MTNR1A P48039 1/20 0.41
DPP4 P27487 1/20 0.41
TLR8 Q9NR97 1/20 0.40
CD274 Q9NZQ7 4/20 0.40
PDCD1 Q15116 1/20 0.40
HNF4A P41235 1/20 0.40
ATM Q13315 1/20 0.40
MPO P05164 1/20 0.40
FFAR1 O14842 2/20 0.39
FFAR4 Q5NUL3 2/20 0.39

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
SCHEMBL5614218 0.82 PTGER1 (0.51) PTGER1PTGER4PTGER3PTGER2FOLH1
Bicarbonate SCHEMBL17473019 0.81 FOLH1 (0.44) PTGER1PTGER4PTGER3PTGER2FOLH1
SCHEMBL27742528 0.81 PTGER1 (0.50) PTGER1PTGER4PTGER3PTGER2FOLH1
SCHEMBL8696466 0.81 CD274 (0.55) PTGER1PTGER4PTGER3PTGER2FOLH1
Bicarbonate SCHEMBL17473105 0.80 BID (0.49)
SCHEMBL5139126 0.79 DPP4 (0.50) PTGER1PTGER4PTGER3PTGER2FOLH1
Bicarbonate SCHEMBL17473075 0.79 BID (0.51)
SCHEMBL6206188 0.78 PTGER4 (0.58) PTGER1PTGER4PTGER3PTGER2FOLH1
Bicarbonate SCHEMBL17473045 0.78 FOLH1 (0.46) PTGER1PTGER4PTGER3PTGER2FOLH1
SCHEMBL7707048 0.77 PDCD1 (0.44) FOLH1DPP4TLR8CD274PDCD1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-101250133-B Novel method for synthesizing (+/-)p-fluoro-2-(2-methyl-propionyl)-4-oxygen-N,3-diphenyl-benzenebutanamide and intermediate therein INST MATERIA MEDICA CAMS 2010-06-09 CN disclosed
EP-2170916-A1 FURANOSE DERIVATIVES Cbz Chemicals Limited (GB) 2010-04-07 EP disclosed
WO-2008152386-A1 FURANOSE DERIVATIVES CBZ CHEMICALS LIMITED (GB) 2008-12-18 WO disclosed
CN-101250133-A Novel method for synthesizing (+/-)p-fluoro-2-(2-methyl-propionyl)-4-oxygen-N,3-diphenyl-benzenebutanamide and intermediate therein INST MATERIA MEDICA CAMS (CN) 2008-08-27 CN disclosed