SCHEMBL14262004

SCHEMBL14262004

Cc1ccc(C(CC(=O)O)NC(=O)c2ccc3c(c2)OCO3)cc1

nearest known ligand 0.72

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
GAA P10253 1/20 0.72
UTS2R Q9UKP6 1/20 0.58
CYP26A1 O43174 2/20 0.55
TAS1R3 Q7RTX0 6/20 0.53
TAS1R1 Q7RTX1 6/20 0.53
NPC1 O15118 3/20 0.52
RAB9A P51151 3/20 0.52
MAPT P10636 1/20 0.51
SMN1; SMN2 Q16637 1/20 0.51
TDP1 Q9NUW8 1/20 0.51
ITGB3 P05106 2/20 0.51
ITGA2B P08514 2/20 0.51
CTSA P10619 1/20 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
SCHEMBL14262002 0.87 GAA (0.67) GAAUTS2RTAS1R3TAS1R1SMN1; SMN2
SCHEMBL14261991 0.87 GAA (0.62) GAAUTS2RTAS1R3TAS1R1NPC1
SCHEMBL14477805 0.84 GAA (1.00) GAAUTS2RTAS1R3TAS1R1NPC1
SCHEMBL3141349 0.77 ITGB3 (0.58) GAARAB9AITGB3ITGA2B
SCHEMBL14261990 0.77 RAB9A (0.59) GAAUTS2RTAS1R3TAS1R1RAB9A
SCHEMBL29157147 0.77 LMNA (0.58) GAAUTS2RCYP26A1SMN1; SMN2CTSA
Propionic Acid SCHEMBL11143657 0.75 TAS1R3 (0.65) GAATAS1R3TAS1R1NPC1RAB9A
SCHEMBL15239028 0.75 KMT2A (0.59) GAARAB9AITGB3ITGA2B
SCHEMBL15238897 0.75 KMT2A (0.59) GAARAB9AITGB3ITGA2B
SCHEMBL20976479 0.75 KMT2A (0.59) GAARAB9AITGB3ITGA2B

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