SCHEMBL29487634

SCHEMBL29487634

NC(CNC(=O)[C@@H](O)Cc1ccc(O)cc1)C(=O)O

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ SLC7A5 Q01650 3/20 0.61
▸ MMP2 P08253 3/20 0.50
▸ YARS1 P54577 2/20 0.45
▸ PTGS1 P23219 2/20 0.44
▸ ALPI P09923 1/20 0.44
▸ PKM P14618 1/20 0.44
▸ XIAP P98170 1/20 0.44
▸ ERAP2 Q6P179 1/20 0.42
▸ LNPEP Q9UIQ6 1/20 0.42
▸ CASR P41180 1/20 0.42
▸ KDM4E B2RXH2 1/20 0.42
▸ USP2 O75604 1/20 0.42
▸ EGFR P00533 1/20 0.42
▸ LCK P06239 1/20 0.42
▸ FYN P06241 1/20 0.42
▸ ADORA3 P0DMS8 1/20 0.42
▸ ALOX15 P16050 1/20 0.42
▸ HTR2A P28223 1/20 0.42
▸ PTGS2 P35354 1/20 0.42
▸ RECQL P46063 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
SCHEMBL28718171 1.00 SLC7A5 (0.61) SLC7A5MMP2YARS1PTGS1ALPI
SCHEMBL16860736 0.88 SLC7A5 (0.70) SLC7A5MMP2YARS1PTGS1ALPI
Tyrosine SCHEMBL17164596 0.80 SLC7A5 (0.83) SLC7A5PTGS1ALPIPKMXIAP
Tyrosine SCHEMBL1580 0.77 SLC7A5 (1.00) SLC7A5PTGS1ALPIPKMXIAP
Tyrosine SCHEMBL10978805 0.77 SLC7A5 (1.00) SLC7A5PTGS1ALPIPKMXIAP
Tyrosine SCHEMBL1581 0.77 SLC7A5 (1.00) SLC7A5PTGS1ALPIPKMXIAP
Tyrosine SCHEMBL11520041 0.77 SLC7A5 (1.00) SLC7A5PTGS1ALPIPKMXIAP
Tyrosine SCHEMBL638520 0.77 SLC7A5 (1.00) SLC7A5PTGS1ALPIPKMXIAP
Tyrosine SCHEMBL11676367 0.77 SLC7A5 (1.00) SLC7A5PTGS1ALPIPKMXIAP
Tyrosine SCHEMBL20787 0.77 SLC7A5 (1.00) SLC7A5PTGS1ALPIPKMXIAP

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-114181106-A Novel small molecular compound for radionuclide iodine labeling and synthetic method thereof 苏州市立医院 2022-03-15 — — CN disclosed
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