SCHEMBL794256

SCHEMBL794256

O=C1CC(C(=O)[C@@H](O)CCNC(=O)OCc2ccccc2)C(=O)N1

nearest known ligand 0.49

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
IDO1 P14902 2/20 0.49
TDO2 P48775 1/20 0.49
LMNA P02545 1/20 0.47
SMN1; SMN2 Q16637 1/20 0.47
SLC1A3 P43003 1/20 0.47
SLC1A1 P43005 1/20 0.47
HTT P42858 1/20 0.45
GAA P10253 1/20 0.44
TGM2 P21980 1/20 0.44
FOLH1 Q04609 2/20 0.43
MEN1 O00255 1/20 0.43
KMT2A Q03164 1/20 0.43
L3MBTL1 Q9Y468 2/20 0.43
MAPT P10636 1/20 0.42
GPBAR1 Q8TDU6 2/20 0.42
DPP8 Q6V1X1 1/20 0.41
DPP7 Q9UHL4 1/20 0.41
KEAP1 Q14145 1/20 0.41
NFE2L2 Q16236 1/20 0.41

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
SCHEMBL28640796 1.00 IDO1 (0.49) IDO1TDO2LMNASMN1; SMN2SLC1A3
SCHEMBL8745681 0.85 IDO1 (0.47) IDO1TDO2LMNASMN1; SMN2SLC1A3
SCHEMBL2245383 0.82 LMNA (0.55) IDO1TDO2LMNASMN1; SMN2HTT
SCHEMBL334927 0.77 SLC1A3 (0.64) LMNASMN1; SMN2SLC1A3SLC1A1HTT
SCHEMBL334926 0.77 SLC1A3 (0.64) LMNASMN1; SMN2SLC1A3SLC1A1HTT
SCHEMBL735799 0.77 SLC1A3 (0.64) LMNASMN1; SMN2SLC1A3SLC1A1HTT
SCHEMBL274968 0.76 GPBAR1 (0.51) SMN1; SMN2GAAGPBAR1
SCHEMBL5227458 0.76 GPBAR1 (0.51) SMN1; SMN2GAAGPBAR1
SCHEMBL11323275 0.75 LMNA (0.51) IDO1TDO2LMNASMN1; SMN2SLC1A3
SCHEMBL794883 0.75 LMNA (0.51) IDO1TDO2LMNASMN1; SMN2SLC1A3

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2616079-A1 TREATMENT OF BACTERIAL INFECTIOUS DISEASES University of Zürich (CH) 2013-07-24 EP disclosed
WO-2012034955-A1 TREATMENT OF BACTERIAL INFECTIOUS DISEASES UNIVERSITY OF ZURICH (CH) 2012-03-22 WO disclosed