SCHEMBL14261990

SCHEMBL14261990

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

nearest known ligand 0.59

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 1/20 0.59
GAA P10253 2/20 0.58
SMN1; SMN2 Q16637 2/20 0.55
MEN1 O00255 1/20 0.54
KMT2A Q03164 1/20 0.54
TAS1R3 Q7RTX0 7/20 0.54
TAS1R1 Q7RTX1 7/20 0.54
UTS2R Q9UKP6 1/20 0.53
ALDH1A1 P00352 1/20 0.50
HPGD P15428 1/20 0.49

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
SCHEMBL14262002 0.87 GAA (0.67) GAASMN1; SMN2TAS1R3TAS1R1UTS2R
SCHEMBL8829420 0.81 RAB9A (0.62) RAB9AGAASMN1; SMN2MEN1KMT2A
SCHEMBL20217881 0.81 RAB9A (0.62) RAB9AGAASMN1; SMN2MEN1KMT2A
SCHEMBL14261991 0.81 GAA (0.62) RAB9AGAASMN1; SMN2KMT2ATAS1R3
SCHEMBL14707654 0.80 GAA (0.50) RAB9AGAASMN1; SMN2TAS1R3TAS1R1
SCHEMBL14261914 0.79 RAB9A (0.55) RAB9AGAASMN1; SMN2MEN1KMT2A
SCHEMBL14261917 0.79 RAB9A (0.56) RAB9AGAASMN1; SMN2MEN1KMT2A
SCHEMBL7478628 0.78 RAB9A (0.59) RAB9AGAASMN1; SMN2MEN1KMT2A
SCHEMBL14262004 0.77 GAA (0.72) RAB9AGAASMN1; SMN2TAS1R3TAS1R1
SCHEMBL14261915 0.77 RAB9A (0.47) RAB9ASMN1; SMN2ALDH1A1

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