SCHEMBL20057034

SCHEMBL20057034

CC(C)(CNC(=O)OC(C)(C)C)COCC(C)(C)COCCC(=O)O

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.38
GAA P10253 1/20 0.38
KMT2A Q03164 1/20 0.38
TDP1 Q9NUW8 1/20 0.36
CA12 O43570 3/20 0.34
CA1 P00915 3/20 0.34
CA2 P00918 3/20 0.34
CA9 Q16790 3/20 0.34
IDO1 P14902 1/20 0.33
MAOA P21397 1/20 0.33
MAOB P27338 1/20 0.33
KDM4A O75164 1/20 0.32
CTSS P25774 2/20 0.31
CTSK P43235 2/20 0.31
EPHX1 P07099 1/20 0.31
LATS1 O95835 1/20 0.31
PTPN11 Q06124 1/20 0.31
FPR3 P25089 1/20 0.31
FPR2 P25090 1/20 0.31
SIGMAR1 Q99720 1/20 0.31

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
SCHEMBL23418149 0.83 MEN1 (0.44) MEN1GAAKMT2ATDP1CA12
SCHEMBL22814733 0.81 MEN1 (0.41) MEN1GAAKMT2ATDP1CA12
SCHEMBL25789921 0.80 TDP1 (0.41) MEN1GAAKMT2ATDP1CA12
SCHEMBL439265 0.79 ALDH1A1 (0.37) TDP1
SCHEMBL2623719 0.78 TDP1 (0.40) MEN1GAAKMT2ATDP1CA12
SCHEMBL3043987 0.78 MEN1 (0.44) MEN1GAAKMT2ATDP1CA12
SCHEMBL24668225 0.78 TDP1 (0.38) MEN1GAAKMT2ATDP1CA12
SCHEMBL14642773 0.76 MEN1 (0.50) MEN1GAAKMT2ATDP1CA12
SCHEMBL17771615 0.75 MEN1 (0.37) MEN1GAAKMT2ATDP1CA12
SCHEMBL12092148 0.75 MEN1 (0.49) MEN1GAAKMT2ATDP1CA12

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-3308801-A1 ANTIBODY DRUG CONJUGATE, INTERMEDIATE, PREPARATION METHOD, PHARMACEUTICAL COMPOSITION AND USES THEREOF XDCExplorer (Shanghai) Co., Ltd. (CN) 2018-04-18 EP disclosed