SCHEMBL29238518

SCHEMBL29238518

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

nearest known ligand 0.47

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
TGFBR1 P36897 1/20 0.39
CA2 P00918 4/20 0.39
CA4 P22748 1/20 0.39
CA1 P00915 2/20 0.35
GNPAT O15228 1/20 0.35
MME P08473 2/20 0.34
PRSS1 P07477 2/20 0.34
TMPRSS15 P98073 2/20 0.34
ITGB3 P05106 1/20 0.33
ITGA2B P08514 1/20 0.33
GAA P10253 1/20 0.33
MAPT P10636 1/20 0.33
FOLH1 Q04609 1/20 0.32
RIMKLA Q8IXN7 1/20 0.32
NAALAD2 Q9Y3Q0 1/20 0.32

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
SCHEMBL29238543 0.89 ECE1 (0.41) TGFBR1CA2CA1MAPTFOLH1
SCHEMBL600767 0.83 CA2 (0.48) TGFBR1CA2CA4CA1GNPAT
SCHEMBL4099868 0.83 CA2 (0.48) TGFBR1CA2CA4CA1GNPAT
SCHEMBL29084669 0.81 CA2 (0.47) TGFBR1CA2CA4CA1GNPAT
SCHEMBL2016486 0.76 TGFBR1 (0.33) TGFBR1
Hydroxyamine SCHEMBL631500 0.74 CA2 (0.45) TGFBR1CA2CA4CA1GNPAT
SCHEMBL2916092 0.73 CA2 (0.48) TGFBR1CA2CA4MMEGAA
SCHEMBL1457564 0.73 CA2 (0.48) TGFBR1CA2CA4MMEGAA
SCHEMBL2910640 0.73 CA2 (0.48) TGFBR1CA2CA4MMEGAA
SCHEMBL22019 0.73 CA2 (0.48) TGFBR1CA2CA4MMEGAA

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
CN-118243923-A Urine metabolism marker for diagnosing or monitoring bladder cancer and application thereof 宁夏医科大学总医院 2024-06-25 CN disclosed