SCHEMBL30716634

SCHEMBL30716634

N[C@@H](CCC(=O)O)C(=O)OC(=O)[C@@H](N)Cc1ccccc1.N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCC(=O)O)C(=O)O

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NAALAD2 Q9Y3Q0 3/20 0.56
POLB P06746 1/20 0.51
MME P08473 1/20 0.49
ECE1 P42892 1/20 0.49
SLC15A1 P46059 1/20 0.49
FOLH1 Q04609 2/20 0.48
LTA4H P09960 1/20 0.47
CTSC P53634 1/20 0.46
GNPAT O15228 1/20 0.46
BACE1 P56817 2/20 0.45
OPRK1 P41145 1/20 0.45
ALPI P09923 1/20 0.44
PKM P14618 1/20 0.44
PTGS1 P23219 1/20 0.44
XIAP P98170 1/20 0.44
SLC7A5 Q01650 1/20 0.44
HDAC3 O15379 1/20 0.44
HDAC4 P56524 1/20 0.44
HDAC1 Q13547 1/20 0.44
HDAC7 Q8WUI4 1/20 0.44

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
SCHEMBL3048911 0.90 NAALAD2 (0.68) NAALAD2POLBMMESLC15A1FOLH1
SCHEMBL6236774 0.90 NAALAD2 (0.68) NAALAD2POLBMMESLC15A1FOLH1
SCHEMBL3048908 0.90 NAALAD2 (0.68) NAALAD2POLBMMESLC15A1FOLH1
SCHEMBL27652943 0.88 NAALAD2 (0.64) NAALAD2POLBSLC15A1FOLH1LTA4H
SCHEMBL6237394 0.88 NAALAD2 (0.64) NAALAD2POLBSLC15A1FOLH1LTA4H
SCHEMBL30692726 0.87 NAALAD2 (0.67) NAALAD2POLBMMESLC15A1FOLH1
SCHEMBL28126901 0.86 SLC15A1 (0.59) NAALAD2SLC15A1LTA4HALPIPKM
SCHEMBL3732241 0.86 SLC15A1 (0.59) NAALAD2SLC15A1LTA4HALPIPKM
SCHEMBL30849218 0.85 NAALAD2 (0.61) NAALAD2POLBMMESLC15A1FOLH1
SCHEMBL30123529 0.84 NAALAD2 (0.60) NAALAD2POLBMMEECE1SLC15A1

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-117269494-A A group of metabolic markers for breast cancer lung metastasis 厦门大学 2023-12-22 CN disclosed