SCHEMBL14262002

SCHEMBL14262002

O=C(O)CC(NC(=O)c1ccc2c(c1)OCO2)c1ccc2c(c1)OCCO2

nearest known ligand 0.67

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
GAA P10253 2/20 0.67
ITGB3 P05106 5/20 0.57
ITGA2B P08514 4/20 0.57
SMN1; SMN2 Q16637 2/20 0.55
KDM4E B2RXH2 1/20 0.54
MAPK1 P28482 1/20 0.54
ITGAV P06756 2/20 0.54
UTS2R Q9UKP6 1/20 0.53
ALDH1A1 P00352 2/20 0.53
MAPK9 P45984 1/20 0.53
HTT P42858 1/20 0.53
TAS1R3 Q7RTX0 3/20 0.51
TAS1R1 Q7RTX1 3/20 0.51

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
SCHEMBL14261990 0.87 RAB9A (0.59) GAASMN1; SMN2UTS2RALDH1A1TAS1R3
SCHEMBL14262004 0.87 GAA (0.72) GAAITGB3ITGA2BSMN1; SMN2UTS2R
SCHEMBL3141349 0.83 ITGB3 (0.58) GAAITGB3ITGA2BITGAVMAPK9
SCHEMBL14707623 0.81 GAA (0.50) GAAITGB3ITGA2BSMN1; SMN2ITGAV
SCHEMBL14477805 0.81 GAA (1.00) GAASMN1; SMN2KDM4EUTS2RALDH1A1
SCHEMBL15239028 0.78 KMT2A (0.59) GAAITGB3ITGA2BITGAVMAPK9
SCHEMBL15238897 0.78 KMT2A (0.59) GAAITGB3ITGA2BITGAVMAPK9
SCHEMBL20976479 0.78 KMT2A (0.59) GAAITGB3ITGA2BITGAVMAPK9
SCHEMBL14261925 0.77 NPC1 (0.58) GAAITGB3ITGA2BSMN1; SMN2KDM4E
SCHEMBL14261920 0.77 NPC1 (0.58) GAASMN1; SMN2MAPK1ALDH1A1HTT

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
US-7348357-B2 bactericide; derivatives of pseudopeptide Andrimid in which beta-phenylalanine amide is replaced by heteroaromatic or substituted aromatic amide; N-{(1S)-3-[((1S)-1-{[(3R,4S)-1,4-Dimethyl-2,5-dioxo-3-pyrrolidinyl]carbonyl}-2-methylpropyl)amino]-3-oxo-1-phenylpropyl}-2-pyridinecarboxamide; antibiotics BAYER HEALTHCARE AG (DE) 2008-03-25 US disclosed
US-7348357-B2 bactericide; derivatives of pseudopeptide Andrimid in which beta-phenylalanine amide is replaced by heteroaromatic or substituted aromatic amide; N-{(1S)-3-[((1S)-1-{[(3R,4S)-1,4-Dimethyl-2,5-dioxo-3-pyrrolidinyl]carbonyl}-2-methylpropyl)amino]-3-oxo-1-phenylpropyl}-2-pyridinecarboxamide; antibiotics BAYER HEALTHCARE AG (DE) 2008-03-25 US disclosed