SCHEMBL13786359

SCHEMBL13786359

C=C1CCC(=O)N1OC(=O)CCCNC(=O)OCc1ccccc1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTT P42858 1/20 0.56
TPSAB1 Q15661 4/20 0.49
TPSD1 Q9BZJ3 4/20 0.49
TPSG1 Q9NRR2 4/20 0.49
TGM2 P21980 1/20 0.48
FOLH1 Q04609 3/20 0.47
ELANE P08246 2/20 0.46
PLG P00747 1/20 0.46
LMNA P02545 1/20 0.46
SMN1; SMN2 Q16637 1/20 0.46
GAA P10253 1/20 0.46
KEAP1 Q14145 3/20 0.45
NFE2L2 Q16236 3/20 0.45
DPP8 Q6V1X1 1/20 0.43
DPP7 Q9UHL4 1/20 0.43
MEN1 O00255 1/20 0.43
KMT2A Q03164 1/20 0.43
PRSS1 P07477 1/20 0.42
PRSS2 P07478 1/20 0.42
PRSS3 P35030 1/20 0.42

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
SCHEMBL1231646 0.92 HTT (0.62) HTTTPSAB1TPSD1TPSG1TGM2
SCHEMBL2390661 0.88 HTT (0.56) HTTTPSAB1TPSD1TPSG1TGM2
SCHEMBL6420313 0.85 GAA (0.58) HTTTPSAB1TPSD1TPSG1TGM2
SCHEMBL20785502 0.83 ALDH1A1 (0.47) HTTTPSAB1TPSD1TPSG1LMNA
SCHEMBL22146953 0.81 HTT (0.48) HTTTPSAB1TPSD1TPSG1TGM2
SCHEMBL13418028 0.80 CASP1 (0.43)
SCHEMBL25333732 0.80 LMNA (0.63) HTTTPSAB1TPSD1TPSG1TGM2
SCHEMBL1412214 0.78 TPSAB1 (0.50) HTTTPSAB1TPSD1TPSG1LMNA
SCHEMBL11527408 0.78 HTT (0.54) HTTTPSAB1TPSD1TPSG1TGM2
SCHEMBL16620495 0.78 ALDH1A1 (0.47) TPSAB1TPSD1TPSG1ELANEPLG

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-2083005-A1 Carbamic acid compounds comprising an amide linkage as HDAC inhibitors TopoTarget UK Limited (GB) 2009-07-29 EP disclosed