SCHEMBL9276136

SCHEMBL9276136

NC1(CCCNC(=O)OCc2ccccc2)C(=O)OC1=O

nearest known ligand 0.58

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
HTT P42858 1/20 0.58
LMNA P02545 1/20 0.53
SMN1; SMN2 Q16637 1/20 0.53
TGM2 P21980 1/20 0.52
KEAP1 Q14145 2/20 0.51
NFE2L2 Q16236 2/20 0.51
IDO1 P14902 1/20 0.46
TDO2 P48775 1/20 0.46
SLC1A3 P43003 1/20 0.46
SLC1A1 P43005 1/20 0.46
DPP8 Q6V1X1 1/20 0.46
DPP7 Q9UHL4 1/20 0.46
L3MBTL1 Q9Y468 2/20 0.45
FOLH1 Q04609 2/20 0.45
MAPT P10636 1/20 0.44
ANPEP P15144 1/20 0.44
KAT2B Q92831 1/20 0.44
GAA P10253 1/20 0.44

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
SCHEMBL25568628 0.81 HTT (0.62) HTTLMNASMN1; SMN2TGM2KEAP1
SCHEMBL18254066 0.79 HTT (0.81) HTTLMNASMN1; SMN2TGM2KEAP1
SCHEMBL15346534 0.78 HTT (0.79) HTTLMNASMN1; SMN2TGM2KEAP1
SCHEMBL9874334 0.78 HTT (0.79) HTTLMNASMN1; SMN2TGM2KEAP1
SCHEMBL9340146 0.78 HTT (0.79) HTTLMNASMN1; SMN2TGM2KEAP1
SCHEMBL615296 0.77 HTT (0.72) HTTLMNASMN1; SMN2TGM2KEAP1
SCHEMBL13055383 0.76 LMNA (0.80) HTTLMNASMN1; SMN2TGM2KEAP1
SCHEMBL335088 0.76 HTT (0.70) HTTLMNASMN1; SMN2TGM2KEAP1
SCHEMBL8698925 0.76 HTT (0.80) HTTLMNASMN1; SMN2TGM2KEAP1
Hydrochloric Acid SCHEMBL616935 0.76 HTT (0.70) HTTLMNASMN1; SMN2TGM2KEAP1

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-0680469-A1 AMINOACID DERIVATES, MEDICAMENTS CONTAINING THESE COMPOUNDS AND PROCESS FOR PREPARING THE SAME Dr. Karl Thomae GmbH (DE) 1995-11-08 EP disclosed
WO-1994017035-A1 AMINOACID DERIVATES, MEDICAMENTS CONTAINING THESE COMPOUNDS AND PROCESS FOR PREPARING THE SAME DR. KARL THOMAE GMBH (DE) 1994-08-04 WO disclosed