SCHEMBL23447239

SCHEMBL23447239

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

nearest known ligand 0.59

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ TLR2 O60603 2/20 0.59
▸ KMT2A Q03164 2/20 0.49
▸ MDM4 O15151 2/20 0.46
▸ TP53 P04637 2/20 0.46
▸ CASP3 P42574 1/20 0.46
▸ MDM2 Q00987 4/20 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
SCHEMBL12917713 0.92 TLR2 (0.67) TLR2KMT2AMDM4TP53CASP3
SCHEMBL23446263 0.89 TLR2 (0.49) TLR2KMT2AMDM4TP53CASP3
SCHEMBL15593373 0.89 TLR2 (0.51) TLR2KMT2AMDM4TP53CASP3
SCHEMBL29706214 0.89 TLR2 (0.51) TLR2KMT2AMDM4TP53CASP3
SCHEMBL8583770 0.89 TLR2 (0.57) TLR2KMT2AMDM4TP53CASP3
SCHEMBL14141428 0.87 TLR2 (0.49) TLR2KMT2AMDM4TP53CASP3
SCHEMBL21045062 0.86 TLR2 (0.49) TLR2KMT2AMDM4TP53CASP3
SCHEMBL21045061 0.86 TLR2 (0.49) TLR2KMT2AMDM4TP53CASP3
SCHEMBL31655746 0.86 TLR2 (0.49) TLR2KMT2AMDM4TP53CASP3
SCHEMBL29768883 0.86 TLR2 (0.49) TLR2KMT2AMDM4TP53CASP3

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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