SCHEMBL28339609

SCHEMBL28339609

CC(C)(C)OC(=O)NCCCC[C@@H](C(=O)N[C@@H](CCCCNC(=O)OCc1ccccc1)C(=O)OC(C)(C)C)N(C(=O)CN=[N+]=[N-])C(=O)CNC(=O)CNC(=O)CN

nearest known ligand 0.46

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ KLK7 P49862 2/20 0.44
▸ KLK5 Q9Y337 2/20 0.44
▸ MAPT P10636 2/20 0.42
▸ MEN1 O00255 2/20 0.42
▸ KMT2A Q03164 2/20 0.42
▸ NPSR1 Q6W5P4 1/20 0.42
▸ PAX8 Q06710 1/20 0.40
▸ TDP1 Q9NUW8 1/20 0.40
▸ ABCB1 P08183 1/20 0.40
▸ CPB1 P15086 1/20 0.39
▸ CPB2 Q96IY4 1/20 0.39
▸ FOLH1 Q04609 1/20 0.39
▸ TPSAB1 Q15661 2/20 0.39
▸ TPSD1 Q9BZJ3 2/20 0.39
▸ TPSG1 Q9NRR2 2/20 0.39

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
SCHEMBL20530010 0.84 KLK7 (0.49) KLK7KLK5MAPTMEN1KMT2A
SCHEMBL20529993 0.84 KLK7 (0.49) KLK7KLK5MAPTMEN1KMT2A
SCHEMBL20530051 0.82 KLK7 (0.53) KLK7KLK5MAPTMEN1KMT2A
SCHEMBL29521785 0.82 KLK7 (0.53) KLK7KLK5MAPTMEN1KMT2A
SCHEMBL20529995 0.77 FOLH1 (0.52) KLK7KLK5MAPTCPB1CPB2
SCHEMBL28902004 0.77 KLK7 (0.59) KLK7KLK5MAPTMEN1KMT2A
SCHEMBL28902002 0.77 KLK7 (0.59) KLK7KLK5MAPTMEN1KMT2A
SCHEMBL29460388 0.76 KLK7 (0.61) KLK7KLK5MAPTMEN1KMT2A
SCHEMBL29521507 0.75 KLK7 (0.48) KLK7KLK5MAPTMEN1KMT2A
SCHEMBL26241451 0.75 KLK7 (0.48) KLK7KLK5MAPTMEN1KMT2A

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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