SCHEMBL28902004

SCHEMBL28902004

CC(C)(C)OC(=O)C(CCCCNC(=O)OCc1ccccc1)NC(=O)CN

nearest known ligand 0.59

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
KLK7 P49862 2/20 0.59
KLK5 Q9Y337 2/20 0.59
MAPT P10636 2/20 0.59
ABCB1 P08183 1/20 0.58
FOLH1 Q04609 2/20 0.55
CA1 P00915 1/20 0.55
CA2 P00918 1/20 0.55
CPB1 P15086 1/20 0.54
CPB2 Q96IY4 1/20 0.54
PAX8 Q06710 1/20 0.52
TDP1 Q9NUW8 1/20 0.52
MEN1 O00255 1/20 0.52
KMT2A Q03164 1/20 0.52
NPSR1 Q6W5P4 1/20 0.52

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
SCHEMBL28902002 1.00 KLK7 (0.59) KLK7KLK5MAPTABCB1FOLH1
SCHEMBL29072109 0.91 KLK7 (0.60) KLK7KLK5MAPTABCB1FOLH1
SCHEMBL29072115 0.91 KLK7 (0.60) KLK7KLK5MAPTABCB1FOLH1
SCHEMBL22972745 0.90 KLK7 (0.59) KLK7KLK5MAPTABCB1FOLH1
SCHEMBL17309872 0.89 MAPT (0.68) KLK7KLK5MAPTABCB1FOLH1
SCHEMBL1303931 0.89 MAPT (0.68) KLK7KLK5MAPTABCB1FOLH1
SCHEMBL15976615 0.89 CA1 (0.66) FOLH1CA1CA2CPB1CPB2
SCHEMBL9389258 0.89 FOLH1 (0.61) FOLH1CA1CA2CPB1CPB2
SCHEMBL29460388 0.89 KLK7 (0.61) KLK7KLK5MAPTABCB1FOLH1
SCHEMBL20530051 0.89 KLK7 (0.53) KLK7KLK5MAPTABCB1CPB1

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-114364405-B Prostate Specific Membrane Antigen (PSMA) inhibitors as diagnostic and radionuclide therapeutics 五一一制药股份有限公司 2024-07-16 CN disclosed
CN-114364405-A Prostate Specific Membrane Antigen (PSMA) inhibitors as diagnostic agents and radionuclide therapeutics 五一一制药股份有限公司 2022-04-15 CN disclosed