SCHEMBL1023223

SCHEMBL1023223

NCCC[C@@H](CC(=O)NCCNC(=O)OCc1ccccc1)N(Cc1ccccc1)C(=O)O

nearest known ligand 0.46

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
HTT P42858 1/20 0.46
LMNA P02545 1/20 0.45
SMN1; SMN2 Q16637 1/20 0.45
SLC1A3 P43003 1/20 0.45
SLC1A1 P43005 1/20 0.45
CPB1 P15086 1/20 0.44
CPB2 Q96IY4 1/20 0.44
DPP8 Q6V1X1 1/20 0.42
DPP7 Q9UHL4 1/20 0.42
TGM2 P21980 1/20 0.42
FOLH1 Q04609 3/20 0.42
KEAP1 Q14145 2/20 0.42
NFE2L2 Q16236 2/20 0.42
ANPEP P15144 1/20 0.41
EPOR P19235 2/20 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
Hydrochloric Acid SCHEMBL4848974 0.99 HTT (0.46) HTTLMNASMN1; SMN2SLC1A3SLC1A1
SCHEMBL1024723 0.82 CPB1 (0.47) HTTLMNASMN1; SMN2SLC1A3SLC1A1
Acetic Acid SCHEMBL4856558 0.81 CPB1 (0.46) HTTLMNASMN1; SMN2SLC1A3SLC1A1
SCHEMBL1024008 0.79 KMT2A (0.48)
Hydrochloric Acid SCHEMBL4883005 0.79 HTT (0.48) HTTLMNASMN1; SMN2SLC1A3SLC1A1
SCHEMBL1024168 0.78 MAPT (0.51) FOLH1
SCHEMBL19384905 0.75 HTT (0.64) HTTLMNASMN1; SMN2SLC1A3SLC1A1
SCHEMBL615296 0.75 HTT (0.72) HTTLMNASMN1; SMN2SLC1A3SLC1A1
SCHEMBL14010427 0.75 HTT (0.63) HTTLMNASMN1; SMN2SLC1A3SLC1A1
Acetic Acid SCHEMBL4881411 0.74 CPB1 (0.52) HTTLMNASMN1; SMN2SLC1A3SLC1A1

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-1797110-B1 ANTIBACTERIAL AMIDE MACROCYCLES IV AICURIS GMBH & CO KG (DE) 2011-01-12 EP disclosed