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SCHEMBL28339679

SCHEMBL28339679

CC(C)(C)OC(=O)NCCCCC(NC(=O)CNC(=O)CNC(=O)CNC(=O)CNC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)NC(CCCCNC(=O)OCc1ccccc1)C(=O)OC(C)(C)C

nearest known ligand 0.59

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ KLK7 P49862 2/20 0.50
▸ KLK5 Q9Y337 2/20 0.50
▸ MAPT P10636 2/20 0.47
▸ KMT2A Q03164 2/20 0.47
▸ TLR2 O60603 1/20 0.46
▸ TLR1 Q15399 1/20 0.46
▸ ABCB1 P08183 1/20 0.46
▸ PAX8 Q06710 1/20 0.44
▸ TDP1 Q9NUW8 1/20 0.44
▸ MEN1 O00255 1/20 0.44
▸ NPSR1 Q6W5P4 1/20 0.44

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
SCHEMBL20529969 1.00 KLK7 (0.50) KLK7KLK5MAPTKMT2ATLR2
SCHEMBL29521232 0.92 KLK7 (0.54) KLK7KLK5MAPTKMT2ATLR2
SCHEMBL20530075 0.92 KMT2A (0.54) KLK7KLK5MAPTKMT2ATLR2
SCHEMBL20530072 0.92 KMT2A (0.54) KLK7KLK5MAPTKMT2ATLR2
SCHEMBL23933117 0.92 KLK7 (0.53) KLK7KLK5MAPTKMT2ATLR2
SCHEMBL23933116 0.92 KLK7 (0.53) KLK7KLK5MAPTKMT2ATLR2
SCHEMBL29768941 0.92 KLK7 (0.53) KLK7KLK5MAPTKMT2ATLR2
SCHEMBL24235693 0.89 KLK7 (0.45) KLK7KLK5MAPTKMT2ATLR2
SCHEMBL17444823 0.89 KLK7 (0.53) KLK7KLK5MAPTKMT2ATLR2
SCHEMBL20529968 0.88 KLK7 (0.53) KLK7KLK5MAPTKMT2ATLR2

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
CN-110612126-A Tri-functional constructs with tunable pharmacokinetics useful for imaging and anti-tumor therapy 康奈尔大学 2019-12-24 — — CN disclosed
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