SCHEMBL29400507

SCHEMBL29400507

O=C(N[C@H](Cc1ccc(O)c([N+](=O)[O-])c1)C(=O)O)OCC1c2ccccc2-c2ccccc21

nearest known ligand 0.53

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ ALB P02768 1/20 0.48
▸ IL2 P60568 1/20 0.48
▸ PTPN1 P18031 3/20 0.48
▸ MDM4 O15151 3/20 0.47
▸ TP53 P04637 3/20 0.47
▸ SLC17A5 Q9NRA2 1/20 0.44
▸ MDM2 Q00987 2/20 0.44
▸ CASP3 P42574 2/20 0.43
▸ ALDH1A1 P00352 1/20 0.42
▸ EPHX2 P34913 1/20 0.42
▸ GRB2 P62993 1/20 0.41

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
SCHEMBL5062433 1.00 ALB (0.48) ALBIL2PTPN1MDM4TP53
SCHEMBL9359175 1.00 ALB (0.48) ALBIL2PTPN1MDM4TP53
SCHEMBL8697104 0.90 MDM4 (0.48) PTPN1MDM4TP53SLC17A5MDM2
SCHEMBL14060727 0.88 PTPN1 (0.43) ALBIL2PTPN1MDM4TP53
SCHEMBL15762708 0.88 PTPN1 (0.43) ALBIL2PTPN1MDM4TP53
SCHEMBL9732381 0.87 PTPN1 (0.54) PTPN1MDM4TP53SLC17A5MDM2
SCHEMBL29500417 0.87 PTPN1 (0.54) PTPN1MDM4TP53SLC17A5MDM2
SCHEMBL29843110 0.87 PTPN1 (0.54) PTPN1MDM4TP53SLC17A5MDM2
SCHEMBL3868341 0.87 PTPN1 (0.46) ALBIL2PTPN1MDM4TP53
Catechol SCHEMBL18074826 0.86 PTPN1 (0.53) PTPN1MDM4TP53SLC17A5MDM2

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 5 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
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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