SCHEMBL29401362

SCHEMBL29401362

O=C(N[C@@H](Cc1cn(C(=O)OCc2ccccc2)cn1)C(=O)O)OCC1c2ccccc2-c2ccccc21

nearest known ligand 0.58

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ MDM4 O15151 3/20 0.51
▸ TP53 P04637 3/20 0.51
▸ HDAC1 Q13547 1/20 0.48
▸ HDAC2 Q92769 1/20 0.48
▸ MDM2 Q00987 6/20 0.46
▸ TNF P01375 1/20 0.44
▸ IDO1 P14902 1/20 0.42
▸ TDO2 P48775 1/20 0.42
▸ KMT2A Q03164 1/20 0.42
▸ ITGB3 P05106 3/20 0.42
▸ ITGA2B P08514 3/20 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
SCHEMBL29368221 0.94 MDM4 (0.56) MDM4TP53MDM2KMT2A
SCHEMBL29401227 0.94 MDM4 (0.56) MDM4TP53MDM2KMT2A
SCHEMBL1486207 0.94 MDM4 (0.56) MDM4TP53MDM2KMT2A
SCHEMBL9394394 0.88 ITGB3 (0.52) ITGB3ITGA2B
SCHEMBL19384895 0.87 MDM4 (0.49) MDM4TP53MDM2
SCHEMBL20677176 0.87 MDM4 (0.49) MDM4TP53MDM2
SCHEMBL13697504 0.87 MDM4 (0.52) MDM4TP53MDM2
SCHEMBL3439705 0.87 MDM4 (0.52) MDM4TP53MDM2
SCHEMBL21474286 0.87 MDM4 (0.52) MDM4TP53MDM2
SCHEMBL29386828 0.87 MDM4 (0.52) MDM4TP53MDM2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4425181-A1 COMPOSITION FOR DETECTING OR MEASURING ANALYTE Bertis Inc (KR) 2024-09-04 — — EP disclosed
US-20240011979-A1 COMPOSITION FOR DETECTING OR MEASURING ANALYTES BERTIS INC. (KR) 2024-01-11 — — US disclosed
CN-116829949-A Compositions for detecting or measuring analytes 伯蒂斯有限公司 2023-09-29 — — CN disclosed
WO-2023075435-A1 COMPOSITION FOR DETECTING OR MEASURING ANALYTE 주식회사 베르티스 2023-05-04 — — WO disclosed
US-20220283131-A1 COMPOSITION FOR DETECTING OR MEASURING ANALYTES BERTIS CO., LTD. (KR) 2022-09-08 — — US disclosed
WO-2022050529-A1 COMPOSITION FOR DETECTING OR MEASURING ANALYTE ㈜베르티스 2022-03-10 — — WO disclosed
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