SCHEMBL16485196

SCHEMBL16485196

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

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA1 P00915 3/20 0.48
CA2 P00918 3/20 0.48
MEN1 O00255 1/20 0.45
GAA P10253 1/20 0.45
KMT2A Q03164 1/20 0.45
CAPN1 P07384 1/20 0.45
ITGB3 P05106 3/20 0.43
ITGA2B P08514 3/20 0.43
SIRT5 Q9NXA8 2/20 0.43
CTSS P25774 2/20 0.43
CTSK P43235 2/20 0.43
TDP1 Q9NUW8 3/20 0.41
MAOA P21397 1/20 0.40
MAOB P27338 1/20 0.40
ATM Q13315 1/20 0.40
CXCR3 P49682 1/20 0.40
MMP1 P03956 1/20 0.39
MMP3 P08254 1/20 0.39
MMP9 P14780 1/20 0.39
MAPT P10636 1/20 0.39

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
SCHEMBL30582710 0.91 CA1 (0.48) CA1CA2MEN1GAAKMT2A
SCHEMBL29714777 0.90 CA1 (0.47) CA1CA2MEN1GAAKMT2A
SCHEMBL16862479 0.88 MEN1 (0.53) CA1CA2MEN1GAAKMT2A
SCHEMBL19776667 0.88 MEN1 (0.53) CA1CA2MEN1GAAKMT2A
SCHEMBL14938898 0.88 MEN1 (0.53) CA1CA2MEN1GAAKMT2A
SCHEMBL14938896 0.88 MEN1 (0.53) CA1CA2MEN1GAAKMT2A
SCHEMBL24642514 0.86 CA1 (0.49) CA1CA2MEN1GAAKMT2A
SCHEMBL22750240 0.85 CTSS (0.53) CA1CA2MEN1GAAKMT2A
SCHEMBL22750241 0.85 CTSS (0.53) CA1CA2MEN1GAAKMT2A
SCHEMBL26153776 0.84 MEN1 (0.47) CA1CA2MEN1GAAKMT2A

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
WO-2014057687-A1 ANTIBODY-DRUG CONJUGATE 第一三共株式会社 (JP) 2014-04-17 WO disclosed