SCHEMBL29641557

SCHEMBL29641557

O=C(NC(Cc1ccc(O)c(I)c1)C(=O)O)OCC1c2ccccc2-c2ccccc21

nearest known ligand 0.56

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ FOLH1 Q04609 2/20 0.51
▸ ALB P02768 5/20 0.50
▸ IL2 P60568 5/20 0.50
▸ MDM4 O15151 3/20 0.50
▸ TP53 P04637 3/20 0.50
▸ PTPN1 P18031 2/20 0.50
▸ MDM2 Q00987 2/20 0.47
▸ SLC17A5 Q9NRA2 1/20 0.47
▸ CASP3 P42574 1/20 0.46
▸ EPHX2 P34913 1/20 0.45
▸ TNF P01375 1/20 0.45

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
SCHEMBL2030857 1.00 FOLH1 (0.51) FOLH1ALBIL2MDM4TP53
SCHEMBL29398014 1.00 FOLH1 (0.51) FOLH1ALBIL2MDM4TP53
SCHEMBL24489613 1.00 FOLH1 (0.51) FOLH1ALBIL2MDM4TP53
SCHEMBL14584328 1.00 FOLH1 (0.51) FOLH1ALBIL2MDM4TP53
SCHEMBL29500417 0.91 PTPN1 (0.54) MDM4TP53PTPN1MDM2SLC17A5
SCHEMBL29843110 0.91 PTPN1 (0.54) MDM4TP53PTPN1MDM2SLC17A5
SCHEMBL9732381 0.91 PTPN1 (0.54) MDM4TP53PTPN1MDM2SLC17A5
Catechol SCHEMBL18074826 0.90 PTPN1 (0.53) MDM4TP53PTPN1MDM2SLC17A5
SCHEMBL120691 0.90 MDM4 (0.52) MDM4TP53PTPN1MDM2SLC17A5
SCHEMBL29401272 0.90 MDM4 (0.52) MDM4TP53PTPN1MDM2SLC17A5

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4255885-A1 IODOTYROSINE DERIVATIVES AND PROCESS FOR PREPARING IODOTYROSINE DERIVATIVES ABX Advanced Biochemical Compounds GmbH (DE) 2023-10-11 — — EP disclosed
CN-116568694-A Iodotyrosine derivative and method for preparing iodotyrosine derivative 爱贝斯高级生化化合物-生物医学研究中心有限公司 2023-08-08 — — CN disclosed
EP-4008713-A1 IODINE TYROSINE DERIVATIVES AND METHOD FOR THE PREPARATION OF IODINE TYROSINE DERIVATIVES ABX Advanced Biochemical Compounds GmbH (DE) 2022-06-08 — — EP disclosed
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