SCHEMBL29386512

SCHEMBL29386512

[2H]OC(=O)C(Cc1ccccc1)C[C@H](N)C(=O)O

nearest known ligand 0.84

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ SLC1A1 P43005 3/20 0.84
▸ SLC1A3 P43003 1/20 0.84
▸ SLC1A2 P43004 1/20 0.84
▸ ALPI P09923 1/20 0.62
▸ PKM P14618 1/20 0.62
▸ PTGS1 P23219 1/20 0.62
▸ XIAP P98170 1/20 0.62
▸ SLC7A5 Q01650 1/20 0.62
▸ GRIK1 P39086 1/20 0.56
▸ CYP1A2 P05177 1/20 0.56
▸ GRM2 Q14416 1/20 0.54
▸ GRM3 Q14832 1/20 0.54
▸ ANPEP P15144 2/20 0.52
▸ RNPEP Q9H4A4 1/20 0.52
▸ DNPEP Q9ULA0 1/20 0.52
▸ CPA1 P15085 2/20 0.50
▸ CPA3 P15088 2/20 0.50
▸ FOLH1 Q04609 2/20 0.50
▸ NAALAD2 Q9Y3Q0 1/20 0.50
▸ CPB1 P15086 1/20 0.50

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
SCHEMBL8377822 0.91 SLC1A1 (1.00) SLC1A1SLC1A3SLC1A2ALPIPKM
SCHEMBL133913 0.91 SLC1A1 (1.00) SLC1A1SLC1A3SLC1A2ALPIPKM
SCHEMBL130817 0.91 SLC1A1 (1.00) SLC1A1SLC1A3SLC1A2ALPIPKM
SCHEMBL2265548 0.91 SLC1A1 (1.00) SLC1A1SLC1A3SLC1A2ALPIPKM
SCHEMBL8959957 0.90 SLC1A1 (0.96) SLC1A1SLC1A3SLC1A2ALPIPKM
SCHEMBL31269773 0.87 SLC1A1 (0.69) SLC1A1SLC1A3SLC1A2ALPIPKM
Ethylene Glycol SCHEMBL27596923 0.87 SLC1A1 (0.90) SLC1A1SLC1A3SLC1A2ALPIPKM
SCHEMBL1519045 0.85 SLC1A1 (0.81) SLC1A1SLC1A3SLC1A2ALPIPKM
SCHEMBL3333369 0.85 SLC1A1 (0.81) SLC1A1SLC1A3SLC1A2ALPIPKM
SCHEMBL2358679 0.83 SLC1A1 (0.78) SLC1A1SLC1A3SLC1A2ALPIPKM

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-114621432-A Polyamino acid with cell calcification inducing capability and preparation method and application thereof 中国科学院长春应用化学研究所 2022-06-14 — — CN claimed
CN-119463197-A Polyamino acid nano-drug carrier for removing polyethylene glycol in response manner, preparation method and nano-drug thereof 中国科学院长春应用化学研究所 2025-02-18 — — CN disclosed
CN-114621432-B Polyamino acid with capability of inducing cell calcification as well as preparation method and application thereof 中国科学院长春应用化学研究所 2024-02-13 — — CN disclosed
CN-112480419-B Cisplatin carrier with MMP-2 response and preparation method thereof, cisplatin complex and preparation method thereof 中国科学院长春应用化学研究所 2022-02-22 — — CN disclosed
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