SCHEMBL23446263

SCHEMBL23446263

CCNC(=O)CCC(NC(=O)CNC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)OC(C)(C)C

nearest known ligand 0.49

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ TLR2 O60603 2/20 0.49
▸ KMT2A Q03164 2/20 0.43
▸ MDM4 O15151 1/20 0.42
▸ TP53 P04637 1/20 0.42
▸ MDM2 Q00987 1/20 0.42
▸ CASP3 P42574 1/20 0.40

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
SCHEMBL23447188 0.92 TLR2 (0.56) TLR2KMT2AMDM4TP53MDM2
SCHEMBL23447621 0.91 KMT2A (0.44) TLR2KMT2AMDM4TP53MDM2
SCHEMBL23447239 0.89 TLR2 (0.59) TLR2KMT2AMDM4TP53MDM2
SCHEMBL24235651 0.88 PTPN1 (0.46) TLR2KMT2A
SCHEMBL22373664 0.88 TLR2 (0.43) TLR2KMT2AMDM4TP53MDM2
SCHEMBL21045062 0.86 TLR2 (0.49) TLR2KMT2AMDM4TP53MDM2
SCHEMBL21045061 0.86 TLR2 (0.49) TLR2KMT2AMDM4TP53MDM2
SCHEMBL31655746 0.86 TLR2 (0.49) TLR2KMT2AMDM4TP53MDM2
SCHEMBL29768883 0.86 TLR2 (0.49) TLR2KMT2AMDM4TP53MDM2
SCHEMBL30948635 0.86 KMT2A (0.41) TLR2KMT2AMDM4TP53MDM2

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
WO-2021104120-A1 POLYETHYLENE GLYCOL CONJUGATE MEDICAMENT, PREPARATION METHOD THERFOR 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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