SCHEMBL9329607

SCHEMBL9329607

N[C@@H](CC(=O)N(C[C]=O)c1ccccc1)C(=O)O

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALPI P09923 1/20 0.41
PKM P14618 1/20 0.41
PTGS1 P23219 1/20 0.41
XIAP P98170 1/20 0.41
SLC7A5 Q01650 1/20 0.41
SLC1A3 P43003 4/20 0.40
SLC1A2 P43004 4/20 0.40
SLC1A1 P43005 4/20 0.40
GRM2 Q14416 1/20 0.40
GRM3 Q14832 1/20 0.40
KYNU Q16719 1/20 0.39
GRIK1 P39086 5/20 0.38
GRIK2 Q13002 2/20 0.38
ALDH1A1 P00352 2/20 0.38
GLA P06280 2/20 0.38
TSHR P16473 1/20 0.38
TP53 P04637 1/20 0.37
KIF11 P52732 2/20 0.36
NPC1 O15118 1/20 0.36
HTT P42858 1/20 0.36

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
SCHEMBL7742452 0.79 ALDH1A1 (0.43) ALDH1A1GLATSHRTP53NPC1
SCHEMBL7747749 0.76 ALDH1A1 (0.52) ALDH1A1GLATSHRTP53NPC1
SCHEMBL3809800 0.75 ALDH1A1 (0.46) ALDH1A1GLATSHRTP53NPC1
SCHEMBL9330076 0.75 ALDH1A1 (0.43) ALDH1A1GLATSHRTP53NPC1
SCHEMBL9662182 0.75 ALDH1A1 (0.43) ALDH1A1GLATSHRTP53NPC1
SCHEMBL9330080 0.75 ALDH1A1 (0.43) ALDH1A1GLATSHRTP53NPC1
SCHEMBL10547387 0.73 ATM (0.38) SLC1A3SLC1A2SLC1A1ALDH1A1GLA
SCHEMBL7746415 0.73 TP53 (0.70) ALDH1A1GLATSHRTP53NPC1
SCHEMBL7746733 0.72 ALDH1A1 (0.43) ALDH1A1GLATSHRTP53NPC1
SCHEMBL3915161 0.70 MEN1 (0.44) PKMALDH1A1GLATSHRTP53

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0225634-B1 Antibacterial compounds, their production and use TAKEDA CHEMICAL INDUSTRIES LTD (JP) 1994-04-06 EP disclosed
US-4946837-A ANTIBIOTICS TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1990-08-07 US disclosed
US-4839351-A Antibacterial compounds, and use TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1989-06-13 US disclosed
US-4826834-A BACTERICIDES TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1989-05-02 US disclosed
US-4788185-A Cephalosporin compounds TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1988-11-29 US disclosed
EP-0229369-A2 Cephalosporins, process for their preparation and pharmaceutical compositions containing them Takeda Chemical Industries, Ltd. (JP) 1987-07-22 EP disclosed
EP-0225634-A2 Antibacterial compounds, their production and use Takeda Chemical Industries, Ltd. (JP) 1987-06-16 EP disclosed
US-4665065-A 3-pyrazolo(1,5-aαpyridinium cephem compounds TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1987-05-12 US disclosed
EP-0160252-A2 Antibacterial compounds Takeda Chemical Industries, Ltd. (JP) 1985-11-06 EP disclosed