SCHEMBL16197656

SCHEMBL16197656

CC[C@@H](CNCCCCNC(=O)OC(C)(C)C)C(=O)O

nearest known ligand 0.66

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.66
KMT2A Q03164 2/20 0.66
GAA P10253 1/20 0.66
MAOA P21397 1/20 0.54
MAOB P27338 1/20 0.54
TDP1 Q9NUW8 1/20 0.53
CA2 P00918 7/20 0.45
CA12 O43570 6/20 0.45
CA1 P00915 6/20 0.45
CA9 Q16790 6/20 0.45
CTSS P25774 2/20 0.39
CTSK P43235 2/20 0.39
SYK P43405 1/20 0.38
MAPK1 P28482 1/20 0.38
LMNA P02545 1/20 0.37
TSHR P16473 1/20 0.37
CHRM2 P08172 2/20 0.37
CHRM4 P08173 2/20 0.37
CHRM5 P08912 2/20 0.37
CHRM1 P11229 2/20 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
SCHEMBL5749667 0.87 MEN1 (0.77) MEN1KMT2AGAAMAOAMAOB
SCHEMBL18704730 0.87 MEN1 (0.77) MEN1KMT2AGAAMAOAMAOB
SCHEMBL13694012 0.85 MEN1 (0.84) MEN1KMT2AGAAMAOAMAOB
SCHEMBL4755749 0.83 MEN1 (0.60) MEN1KMT2AGAAMAOAMAOB
SCHEMBL12901343 0.83 MEN1 (0.60) MEN1KMT2AGAAMAOAMAOB
SCHEMBL25407355 0.83 MEN1 (0.60) MEN1KMT2AGAAMAOAMAOB
SCHEMBL16925627 0.80 MAOA (0.60) MEN1KMT2AGAAMAOAMAOB
SCHEMBL12341083 0.80 MEN1 (0.71) MEN1KMT2AGAAMAOAMAOB
SCHEMBL15376152 0.80 MEN1 (0.71) MEN1KMT2AGAAMAOAMAOB
SCHEMBL25501121 0.79 MEN1 (0.79) 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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3134125-A1 ANTIBODY-DRUG-CONJUGATE AND ITS USE FOR THE TREATMENT OF CANCER Pierre Fabre Médicament (FR) 2017-03-01 EP disclosed
EP-2989087-A1 DERIVATIVES OF DOLASTATIN 10 AND AURISTATINS Pierre Fabre Médicament (FR) 2016-03-02 EP disclosed
WO-2015162293-A1 ANTIBODY-DRUG-CONJUGATE AND ITS USE FOR THE TREATMENT OF CANCER PIERRE FABRE MEDICAMENT (FR) 2015-10-29 WO disclosed
WO-2014174062-A1 DERIVATIVES OF DOLASTATIN 10 AND AURISTATINS PIERRE FABRE MEDICAMENT (FR) 2014-10-30 WO disclosed