SCHEMBL1122604

SCHEMBL1122604

CCOC(=O)CCN(Cc1cccc(OCc2ccccc2)c1)C(=O)c1ccc(OCc2ccccc2)cc1

nearest known ligand 0.52

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
SLC2A1 P11166 3/20 0.52
SLC2A4 P14672 1/20 0.52
PTGES O14684 2/20 0.51
NPC1 O15118 2/20 0.50
LMNA P02545 2/20 0.50
RAB9A P51151 2/20 0.50
ALOX5 P09917 2/20 0.50
LTC4S Q16873 1/20 0.50
ALDH1A1 P00352 1/20 0.50
MAPT P10636 1/20 0.50
SMN1; SMN2 Q16637 1/20 0.49
BCHE P06276 3/20 0.48
LTA4H P09960 2/20 0.48
FFAR1 O14842 1/20 0.48
EGFR P00533 1/20 0.48
MEN1 O00255 1/20 0.48
KMT2A Q03164 1/20 0.48
LTB4R Q15722 1/20 0.47
LTB4R2 Q9NPC1 1/20 0.47

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
SCHEMBL1123556 0.99 SLC2A1 (0.53) SLC2A1SLC2A4PTGESNPC1LMNA
SCHEMBL1123188 0.96 SLC2A1 (0.52) SLC2A1SLC2A4PTGESNPC1LMNA
SCHEMBL1123585 0.93 MAOB (0.51) SLC2A1SLC2A4PTGESNPC1LMNA
SCHEMBL1123421 0.92 NPC1 (0.53) SLC2A1SLC2A4PTGESNPC1LMNA
SCHEMBL27638160 0.92 ALOX5 (0.52) SLC2A1SLC2A4NPC1LMNARAB9A
SCHEMBL1123229 0.88 SLC2A1 (0.55) SLC2A1SLC2A4PTGESNPC1LMNA
SCHEMBL1123219 0.87 CYSLTR2 (0.45) SLC2A1SLC2A4PTGESALOX5LTC4S
SCHEMBL1122854 0.87 FFAR1 (0.60) SLC2A1SLC2A4PTGESALOX5LTC4S
SCHEMBL1123113 0.86 FFAR1 (0.62) SLC2A1SLC2A4PTGESALOX5LTC4S
SCHEMBL1123468 0.85 KMT2A (0.54) SLC2A1SLC2A4PTGESNPC1LMNA

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-1644321-B1 NEW BENZAMIDES AS PPATY MODULATORS S A L V A T LAB SA (ES) 2011-02-09 EP disclosed