SCHEMBL13630910

SCHEMBL13630910

COC(=O)C1C[C@@H](NC(=O)OCc2ccccc2)CN(C(=O)OC(C)(C)C)C1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSD11B1 P28845 1/20 0.48
ALDH1A1 P00352 1/20 0.48
GAA P10253 1/20 0.48
CPB1 P15086 1/20 0.47
TSHR P16473 1/20 0.47
CTSL P07711 2/20 0.45
CTSB P07858 1/20 0.45
CTSK P43235 1/20 0.45
KMT2A Q03164 1/20 0.44
L3MBTL1 Q9Y468 1/20 0.44
EPHX1 P07099 1/20 0.44
CA1 P00915 2/20 0.44
CA2 P00918 2/20 0.44
ACHE P22303 2/20 0.44
HTT P42858 1/20 0.44
NPC1 O15118 1/20 0.43
RAB9A P51151 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
STS P08842 1/20 0.43
USP30 Q70CQ3 1/20 0.43

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
SCHEMBL7948452 1.00 HSD11B1 (0.48) HSD11B1ALDH1A1GAACPB1TSHR
SCHEMBL8097829 1.00 HSD11B1 (0.48) HSD11B1ALDH1A1GAACPB1TSHR
SCHEMBL30736145 1.00 HSD11B1 (0.48) HSD11B1ALDH1A1GAACPB1TSHR
SCHEMBL8097832 1.00 HSD11B1 (0.48) HSD11B1ALDH1A1GAACPB1TSHR
SCHEMBL13434301 1.00 HSD11B1 (0.48) HSD11B1ALDH1A1GAACPB1TSHR
SCHEMBL25438608 1.00 HSD11B1 (0.48) HSD11B1ALDH1A1GAACPB1TSHR
SCHEMBL1722459 0.92 PDE4B (0.51) HSD11B1ALDH1A1GAACPB1TSHR
SCHEMBL2218999 0.92 ALDH1A1 (0.56) HSD11B1ALDH1A1GAATSHRCTSL
SCHEMBL29232309 0.89 ALDH1A1 (0.53) HSD11B1ALDH1A1GAATSHRCTSL
SCHEMBL25072073 0.88 HSD11B1 (0.48) HSD11B1ALDH1A1GAACPB1TSHR

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-2119702-A1 AMIDE DERIVATIVE Dainippon Sumitomo Pharma Co., Ltd. (JP) 2009-11-18 EP disclosed