SCHEMBL21444905

SCHEMBL21444905

CC(C)(C)OC(=O)NCC(=O)N[C@@H](CCCCNC(N)=O)C(=O)O

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MEN1 O00255 2/20 0.50
▸ KMT2A Q03164 2/20 0.50
▸ GAA P10253 1/20 0.50
▸ MAOA P21397 1/20 0.47
▸ MAOB P27338 1/20 0.47
▸ C3AR1 Q16581 1/20 0.46
▸ TDP1 Q9NUW8 4/20 0.43
▸ CA1 P00915 3/20 0.41
▸ CA2 P00918 3/20 0.41
▸ ALDH1A1 P00352 1/20 0.41
▸ TSHR P16473 1/20 0.41
▸ ATM Q13315 2/20 0.41
▸ FOLH1 Q04609 2/20 0.40
▸ POLB P06746 2/20 0.39
▸ NPSR1 Q6W5P4 2/20 0.39
▸ CTSS P25774 1/20 0.39
▸ CTSK P43235 1/20 0.39
▸ CAPN1 P07384 1/20 0.39
▸ NOD1 Q9Y239 1/20 0.38
▸ CTDSP1 Q9GZU7 1/20 0.38

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
SCHEMBL18811652 0.96 MEN1 (0.55) MEN1KMT2AGAAMAOAMAOB
SCHEMBL20748813 0.96 MEN1 (0.55) MEN1KMT2AGAAMAOAMAOB
SCHEMBL21323141 0.89 MEN1 (0.50) MEN1KMT2AGAAMAOAMAOB
SCHEMBL27771651 0.89 MEN1 (0.52) MEN1KMT2AGAAMAOAMAOB
SCHEMBL31407660 0.89 MEN1 (0.52) MEN1KMT2AGAAMAOAMAOB
SCHEMBL29581953 0.87 MEN1 (0.52) MEN1KMT2AGAAMAOAMAOB
SCHEMBL29576686 0.87 MEN1 (0.52) MEN1KMT2AGAAMAOAMAOB
SCHEMBL29503454 0.86 SLC6A5 (0.48) MEN1KMT2AGAAMAOAMAOB
SCHEMBL18811650 0.85 MEN1 (0.47) MEN1KMT2AGAAMAOAMAOB
SCHEMBL29964588 0.85 MEN1 (0.56) MEN1KMT2AGAAMAOAMAOB

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
EP-3134125-B1 ANTIBODY-DRUG-CONJUGATE AND ITS USE FOR THE TREATMENT OF CANCER PF MEDICAMENT (FR) 2019-10-09 — — EP disclosed
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