SCHEMBL30213700

SCHEMBL30213700

[2H]OC(=O)CC[C@H](NCc1ccccc1)C(=O)O

nearest known ligand 0.51

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ NAALAD2 Q9Y3Q0 3/20 0.51
▸ MEP1B Q16820 2/20 0.50
▸ FOLH1 Q04609 2/20 0.50
▸ GGH Q92820 1/20 0.44
▸ CPA3 P15088 1/20 0.44
▸ GAA P10253 2/20 0.43
▸ MAPT P10636 1/20 0.43
▸ GGT1 P19440 3/20 0.43
▸ MMP9 P14780 3/20 0.43
▸ MMP8 P22894 2/20 0.43
▸ MMP13 P45452 1/20 0.43
▸ ADAMTS4 O75173 1/20 0.43
▸ MMP2 P08253 2/20 0.42
▸ MMP12 P39900 1/20 0.42
▸ MMP14 P50281 1/20 0.42

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
SCHEMBL869873 0.91 NAALAD2 (0.60) NAALAD2MEP1BFOLH1GGHCPA3
SCHEMBL3387298 0.91 NAALAD2 (0.60) NAALAD2MEP1BFOLH1GGHCPA3
SCHEMBL1818651 0.91 NAALAD2 (0.60) NAALAD2MEP1BFOLH1GGHCPA3
SCHEMBL461571 0.81 KMT2A (0.54) NAALAD2MEP1BFOLH1GGT1MMP9
SCHEMBL461572 0.81 KMT2A (0.54) NAALAD2MEP1BFOLH1GGT1MMP9
Leucine SCHEMBL5175284 0.80 MEP1B (0.49) NAALAD2MEP1BFOLH1
SCHEMBL31419850 0.79 MEP1B (0.61) NAALAD2MEP1BFOLH1GGHCPA3
SCHEMBL10482537 0.79 MME (0.56) GAAMAPTGGT1MMP8
SCHEMBL21274596 0.79 GGT1 (0.47) GAAMAPTGGT1
SCHEMBL10482542 0.79 MME (0.56) GAAMAPTGGT1MMP8

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-112430320-B Multi-hydrophobic core side chain polymer, multi-hydrophobic core drug-loaded material and FK506 preparation 温州医科大学 2023-01-31 — — CN disclosed
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