SCHEMBL23463699

SCHEMBL23463699

CC(C)(C)OC(=O)C(CCC(=O)NC(CCC(=O)O)C(=O)O)NC(=O)OCC1c2ccccc2-c2ccccc21

nearest known ligand 0.53

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ TLR2 O60603 2/20 0.53
▸ MDM2 Q00987 6/20 0.51
▸ MDM4 O15151 2/20 0.51
▸ TP53 P04637 2/20 0.51
▸ PTPN1 P18031 3/20 0.48
▸ CASP3 P42574 1/20 0.47
▸ SLC17A5 Q9NRA2 1/20 0.46
▸ KMT2A Q03164 1/20 0.46

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
SCHEMBL24729097 1.00 TLR2 (0.53) TLR2MDM2MDM4TP53PTPN1
SCHEMBL30069166 1.00 TLR2 (0.53) TLR2MDM2MDM4TP53PTPN1
SCHEMBL29162900 1.00 TLR2 (0.53) TLR2MDM2MDM4TP53PTPN1
SCHEMBL22069859 0.97 PTPN1 (0.49) TLR2MDM2MDM4TP53PTPN1
SCHEMBL31133584 0.97 PTPN1 (0.49) TLR2MDM2MDM4TP53PTPN1
SCHEMBL30779239 0.97 PTPN1 (0.49) TLR2MDM2MDM4TP53PTPN1
SCHEMBL20732318 0.97 PTPN1 (0.49) TLR2MDM2MDM4TP53PTPN1
SCHEMBL20732316 0.97 PTPN1 (0.49) TLR2MDM2MDM4TP53PTPN1
SCHEMBL22069879 0.97 PTPN1 (0.49) TLR2MDM2MDM4TP53PTPN1
SCHEMBL5323666 0.93 KMT2A (0.52) TLR2MDM2MDM4TP53PTPN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-117642190-A Dimer-labeled precursor conjugated with a three-linker and radiotracer derived therefrom 梅迪阿内泽有限公司 2024-03-01 — — CN disclosed
WO-2021103342-A1 POLYETHYLENE GLYCOL CONJUGATED DRUG, AND PREPARATION METHOD THEREFOR AND USE THEREOF 重庆阿普格雷生物科技有限公司 2021-06-03 — — WO disclosed
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