SCHEMBL4330584

SCHEMBL4330584

CC(C)(C)OC(=O)CCC(NC(=O)NCCCCC(NC(=O)OCc1ccccc1)C(=O)OC(C)(C)C)C(=O)OC(C)(C)C

nearest known ligand 0.57

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ FOLH1 Q04609 2/20 0.57
▸ SIRT2 Q8IXJ6 4/20 0.54
▸ SIRT1 Q96EB6 4/20 0.54
▸ MAPT P10636 1/20 0.54
▸ SIRT3 Q9NTG7 1/20 0.54
▸ KLK7 P49862 1/20 0.53
▸ KLK5 Q9Y337 1/20 0.53
▸ ABCB1 P08183 1/20 0.49
▸ ITGB3 P05106 1/20 0.49
▸ ITGA2B P08514 1/20 0.49

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
SCHEMBL29465523 0.93 FOLH1 (0.67) FOLH1MAPTKLK7KLK5ABCB1
SCHEMBL18161563 0.93 FOLH1 (0.67) FOLH1MAPTKLK7KLK5ABCB1
SCHEMBL4330583 0.93 FOLH1 (0.67) FOLH1MAPTKLK7KLK5ABCB1
SCHEMBL563808 0.93 FOLH1 (0.67) FOLH1MAPTKLK7KLK5ABCB1
SCHEMBL29679325 0.93 FOLH1 (0.67) FOLH1MAPTKLK7KLK5ABCB1
SCHEMBL23849707 0.91 FOLH1 (0.55) FOLH1SIRT2SIRT1MAPTSIRT3
SCHEMBL19065207 0.91 FOLH1 (0.55) FOLH1SIRT2SIRT1MAPTSIRT3
SCHEMBL30485723 0.90 FOLH1 (0.62) FOLH1MAPTKLK7KLK5ABCB1
SCHEMBL25963725 0.90 FOLH1 (0.62) FOLH1MAPTKLK7KLK5ABCB1
SCHEMBL31318079 0.90 FOLH1 (0.62) FOLH1MAPTKLK7KLK5ABCB1

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-2097111-A2 HETERODIMERS OF GLUTAMIC ACID Molecular Insight Pharmaceuticals, Inc. (US) 2009-09-09 — — EP disclosed
WO-2008058192-A2 HETERODIMERS OF GLUTAMIC ACID MOLECULAR INSIGHT PHARMACEUTICALS, INC. (US) 2008-05-15 — — WO disclosed
Send feedback