SCHEMBL7595281

SCHEMBL7595281

COc1ccc([C@@H](CO)N(C(=O)OC(C)(C)C)[C@H](CCCNC(=O)OCc2ccccc2)C(N)=O)cc1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TPSAB1 Q15661 2/20 0.44
TPSD1 Q9BZJ3 2/20 0.44
TPSG1 Q9NRR2 2/20 0.44
MAPT P10636 1/20 0.44
BACE1 P56817 1/20 0.42
FOLH1 Q04609 3/20 0.42
ITGB3 P05106 1/20 0.41
ITGA2B P08514 1/20 0.41
CA1 P00915 1/20 0.41
CA2 P00918 1/20 0.41
ACHE P22303 1/20 0.41
KLK7 P49862 2/20 0.40
KLK5 Q9Y337 2/20 0.40
L3MBTL1 Q9Y468 2/20 0.40
ATM Q13315 2/20 0.39
HTT P42858 1/20 0.39
ABCB1 P08183 1/20 0.39
SLC1A3 P43003 1/20 0.39
SLC1A1 P43005 1/20 0.39
KEAP1 Q14145 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
SCHEMBL7594719 1.00 TPSAB1 (0.44) TPSAB1TPSD1TPSG1MAPTBACE1
SCHEMBL7596306 0.93 MAPT (0.47) TPSAB1TPSD1TPSG1MAPTBACE1
SCHEMBL7594441 0.93 MAPT (0.47) TPSAB1TPSD1TPSG1MAPTBACE1
SCHEMBL7598318 0.92 TPSAB1 (0.45) TPSAB1TPSD1TPSG1MAPTFOLH1
SCHEMBL7594433 0.92 TPSAB1 (0.45) TPSAB1TPSD1TPSG1MAPTFOLH1
SCHEMBL7596349 0.88 TPSAB1 (0.44) TPSAB1TPSD1TPSG1MAPTFOLH1
SCHEMBL7600358 0.88 FOLH1 (0.43) MAPTFOLH1CA1CA2ACHE
SCHEMBL7595801 0.88 FOLH1 (0.43) MAPTFOLH1CA1CA2ACHE
SCHEMBL7600627 0.86 MAPT (0.47) TPSAB1TPSD1TPSG1MAPTBACE1
SCHEMBL7597561 0.85 ALOX5 (0.48) TPSAB1TPSD1TPSG1MAPTFOLH1

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-1017672-B1 NEW NPY ANTAGONISTS ASTRAZENECA AB (SE) 2002-11-27 EP disclosed