SCHEMBL29100682

SCHEMBL29100682

CC(C)(C)OC(=O)[C@H](CCc1nnn[nH]1)NC(=O)N[C@@H](CCC(=O)OCc1ccccc1)C(=O)O

nearest known ligand 0.42

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
FOLH1 Q04609 2/20 0.42
POLB P06746 2/20 0.40
GAA P10253 1/20 0.40
NAALAD2 Q9Y3Q0 1/20 0.39
MEN1 O00255 1/20 0.38
ALDH1A1 P00352 1/20 0.38
HPGD P15428 1/20 0.38
KMT2A Q03164 1/20 0.38
MAPT P10636 1/20 0.38
PPARA Q07869 1/20 0.38
CCKBR P32239 1/20 0.37

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
SCHEMBL29100685 1.00 FOLH1 (0.42) FOLH1POLBGAANAALAD2MEN1
SCHEMBL29750626 0.97 POLB (0.42) POLBGAAMEN1ALDH1A1HPGD
SCHEMBL24591260 0.86 POLB (0.39) POLBGAAMEN1ALDH1A1HPGD
SCHEMBL31249016 0.83 FOLH1 (0.60) FOLH1NAALAD2MEN1ALDH1A1HPGD
SCHEMBL29100671 0.82 NAALAD2 (0.44) FOLH1NAALAD2
SCHEMBL24591247 0.82 NAALAD2 (0.44) FOLH1NAALAD2
SCHEMBL1376104 0.81 MEN1 (0.48) FOLH1POLBGAAMEN1ALDH1A1
SCHEMBL20630934 0.81 MEN1 (0.48) FOLH1POLBGAAMEN1ALDH1A1
SCHEMBL22612061 0.81 MEN1 (0.48) FOLH1POLBGAAMEN1ALDH1A1
SCHEMBL1479647 0.79 IDO1 (0.48) FOLH1PPARA

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-116981486-A Dual mode radiotracer and therapeutic agent 慕尼黑工业大学 2023-10-31 CN disclosed