SCHEMBL29100671

SCHEMBL29100671

CC(C)(C)OC(=O)C(CCC(=O)O)NC(=O)NC(CCc1nnn[nH]1)C(=O)OC(C)(C)C

nearest known ligand 0.44

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
NAALAD2 Q9Y3Q0 10/20 0.44
FOLH1 Q04609 7/20 0.38
RIMKLA Q8IXN7 1/20 0.38
DGAT1 O75907 1/20 0.33
ATM Q13315 1/20 0.32
TDP1 Q9NUW8 1/20 0.32

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
SCHEMBL24591247 1.00 NAALAD2 (0.44) NAALAD2FOLH1RIMKLADGAT1ATM
SCHEMBL24591263 0.86 MMP2 (0.32) NAALAD2FOLH1ATMTDP1
SCHEMBL30843334 0.85 KMT2A (0.38) ATMTDP1
SCHEMBL29750626 0.84 POLB (0.42) TDP1
SCHEMBL19209753 0.83 NAALAD2 (0.61) NAALAD2FOLH1RIMKLA
SCHEMBL18020500 0.83 NAALAD2 (0.61) NAALAD2FOLH1RIMKLA
SCHEMBL9965330 0.83 NAALAD2 (0.61) NAALAD2FOLH1RIMKLA
SCHEMBL12145775 0.83 NAALAD2 (0.61) NAALAD2FOLH1RIMKLA
SCHEMBL29100685 0.82 FOLH1 (0.42) NAALAD2FOLH1
SCHEMBL29100682 0.82 FOLH1 (0.42) NAALAD2FOLH1

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