SCHEMBL30727546

SCHEMBL30727546

CC(C)(C)OC(=O)NCCCC[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)[C@](N)(CCCCNC(=O)OCc1ccccc1)C(=O)OC(C)(C)C

nearest known ligand 0.59

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ KLK7 P49862 2/20 0.49
▸ KLK5 Q9Y337 2/20 0.49
▸ MAPT P10636 1/20 0.47
▸ TLR2 O60603 1/20 0.46
▸ TLR1 Q15399 1/20 0.46
▸ ITGB3 P05106 1/20 0.46
▸ ITGA2B P08514 1/20 0.46
▸ HDAC1 Q13547 1/20 0.46
▸ HDAC2 Q92769 1/20 0.46
▸ KMT2A Q03164 1/20 0.45
▸ MDM2 Q00987 1/20 0.45
▸ ABCB1 P08183 1/20 0.43
▸ FOLH1 Q04609 1/20 0.42
▸ SYK P43405 1/20 0.42

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
SCHEMBL29387849 0.87 KLK7 (0.54) KLK7KLK5MAPTTLR2TLR1
SCHEMBL17946769 0.86 KLK7 (0.56) KLK7KLK5MAPTTLR2TLR1
SCHEMBL31011377 0.86 KLK7 (0.54) KLK7KLK5MAPTTLR2TLR1
SCHEMBL29370367 0.86 KLK7 (0.56) KLK7KLK5MAPTTLR2TLR1
SCHEMBL14064950 0.86 KLK7 (0.54) KLK7KLK5MAPTTLR2TLR1
SCHEMBL2289677 0.86 KLK7 (0.54) KLK7KLK5MAPTTLR2TLR1
SCHEMBL29628218 0.86 KLK7 (0.56) KLK7KLK5MAPTTLR2TLR1
SCHEMBL2289683 0.86 KLK7 (0.54) KLK7KLK5MAPTTLR2TLR1
SCHEMBL30631751 0.86 KLK7 (0.54) KLK7KLK5MAPTTLR2TLR1
SCHEMBL20529968 0.85 KLK7 (0.53) KLK7KLK5MAPTTLR2TLR1

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-117563022-A Trifunctional constructs with tunable pharmacokinetics for imaging and anti-tumor therapy 康奈尔大学 2024-02-20 — — CN disclosed
CN-110612126-B Trifunctional constructs with tunable pharmacokinetics for imaging and anti-tumor therapy 康奈尔大学 2023-11-03 — — CN disclosed
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