SCHEMBL5692891

SCHEMBL5692891

COC(=O)[C@H](CCCCN)N(C(=O)OCc1ccccc1)C(=O)OC(C)(C)C

nearest known ligand 0.55

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
EPOR P19235 5/20 0.55
TPSAB1 Q15661 2/20 0.48
TPSD1 Q9BZJ3 2/20 0.48
TPSG1 Q9NRR2 2/20 0.48
ANPEP P15144 1/20 0.41
MAPT P10636 1/20 0.40
L3MBTL1 Q9Y468 3/20 0.40
SYK P43405 1/20 0.40
LTA4H P09960 2/20 0.39
CPB1 P15086 1/20 0.38
CPB2 Q96IY4 1/20 0.38
FOLH1 Q04609 1/20 0.38

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
SCHEMBL7785339 0.94 TPSAB1 (0.47) EPORTPSAB1TPSD1TPSG1MAPT
SCHEMBL3820596 0.91 TPSAB1 (0.53) EPORTPSAB1TPSD1TPSG1MAPT
SCHEMBL375887 0.91 TPSAB1 (0.53) EPORTPSAB1TPSD1TPSG1MAPT
SCHEMBL4150947 0.91 TPSAB1 (0.53) EPORTPSAB1TPSD1TPSG1MAPT
SCHEMBL7785865 0.90 TPSAB1 (0.46) EPORTPSAB1TPSD1TPSG1MAPT
SCHEMBL1021829 0.88 TPSAB1 (0.52) EPORTPSAB1TPSD1TPSG1MAPT
SCHEMBL28480221 0.88 TPSAB1 (0.52) EPORTPSAB1TPSD1TPSG1MAPT
SCHEMBL5712142 0.88 TPSAB1 (0.52) EPORTPSAB1TPSD1TPSG1MAPT
SCHEMBL10741666 0.86 EPOR (0.47) EPORTPSAB1TPSD1TPSG1ANPEP
SCHEMBL10877450 0.86 TPSAB1 (0.45) EPORTPSAB1TPSD1TPSG1MAPT

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-1458378-B1 AMINO ACID DERIVATIVES USEFUL FOR THE TREATMENT OF ALZHEIMER'S DISEASE ELAN PHARM INC (US) 2006-05-24 EP disclosed