SCHEMBL6129649

SCHEMBL6129649

CC(C)(C)OC(=O)NCCCC[C@@H](NC(=O)OCc1ccccc1Cl)C(=O)O

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TGM2 P21980 6/20 0.55
KEAP1 Q14145 2/20 0.50
NFE2L2 Q16236 2/20 0.50
SIRT2 Q8IXJ6 1/20 0.49
SIRT1 Q96EB6 1/20 0.49
FOLH1 Q04609 3/20 0.49
MAPT P10636 2/20 0.48
KLK7 P49862 1/20 0.48
KLK5 Q9Y337 1/20 0.48
ALDH1A1 P00352 1/20 0.48
TSHR P16473 1/20 0.48
CYP1A2 P05177 1/20 0.47
CYP3A4 P08684 1/20 0.47
CYP2D6 P10635 1/20 0.47
CYP2C9 P11712 1/20 0.47
HPGD P15428 1/20 0.47
CYP2C19 P33261 1/20 0.47
ITGB3 P05106 1/20 0.46
ITGA2B P08514 1/20 0.46
NPSR1 Q6W5P4 1/20 0.46

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
SCHEMBL6129662 1.00 TGM2 (0.55) TGM2KEAP1NFE2L2SIRT2SIRT1
SCHEMBL30600455 0.96 MAPT (0.53) TGM2KEAP1NFE2L2SIRT2SIRT1
SCHEMBL29401091 0.96 MAPT (0.53) TGM2KEAP1NFE2L2SIRT2SIRT1
SCHEMBL7893434 0.96 MAPT (0.53) TGM2KEAP1NFE2L2SIRT2SIRT1
SCHEMBL7759126 0.96 MAPT (0.53) TGM2KEAP1NFE2L2SIRT2SIRT1
SCHEMBL29401315 0.93 KEAP1 (0.51) TGM2KEAP1NFE2L2FOLH1MAPT
SCHEMBL29400991 0.93 KEAP1 (0.51) TGM2KEAP1NFE2L2FOLH1MAPT
Lysine SCHEMBL11725815 0.91 CPB1 (0.48) TGM2KEAP1NFE2L2SIRT2SIRT1
SCHEMBL2467817 0.86 FOLH1 (0.65) TGM2SIRT2SIRT1FOLH1MAPT
SCHEMBL699636 0.86 FOLH1 (0.65) TGM2SIRT2SIRT1FOLH1MAPT

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1131343-A4 HYDROPHILIC SOMATOSTATIN ANALOGS ADMINISTRATORS OFTHE TULANE UN (US) 2005-02-02 EP disclosed
US-6465613-B1 ADMINISTERING A SOMATOSTATIN DERIVATIVE TO A PATIENT FOR SELECTIVELY TARGETING AND ARRESTING THE GROWTH OF AN ANGIOGENIC BLOOD VESSEL OR A CELL TULANE UNIVERSITY 2002-10-15 US disclosed
EP-1131343-A1 HYDROPHILIC SOMATOSTATIN ANALOGS THE ADMINISTRATORS OF THE TULANE UNIVERSITY EDUCATIONAL FUND (US) 2001-09-12 EP disclosed
WO-2000031122-A1 HYDROPHILIC SOMATOSTATIN ANALOGS TULANE UNIVERSITY (US) 2000-06-02 WO disclosed