SCHEMBL6418194

SCHEMBL6418194

COc1ccc(C(OC(CCNC(=O)OCc2ccccc2)=NC(CO)CO)(c2ccccc2)c2ccc(OC)cc2)cc1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HTT P42858 1/20 0.42
▸ L3MBTL1 Q9Y468 3/20 0.41
▸ MAPT P10636 2/20 0.41
▸ ATM Q13315 1/20 0.41
▸ LMNA P02545 2/20 0.41
▸ SMN1; SMN2 Q16637 1/20 0.41
▸ CA1 P00915 1/20 0.41
▸ CA2 P00918 1/20 0.41
▸ ACHE P22303 1/20 0.41
▸ CTSL P07711 1/20 0.41
▸ CTSS P25774 1/20 0.41
▸ CTSK P43235 1/20 0.41
▸ MEN1 O00255 2/20 0.40
▸ KMT2A Q03164 2/20 0.40
▸ NPC1 O15118 2/20 0.40
▸ RAB9A P51151 2/20 0.40
▸ GAA P10253 2/20 0.40
▸ TAAR1 Q96RJ0 1/20 0.40
▸ KIF11 P52732 1/20 0.39
▸ ALDH1A1 P00352 1/20 0.39

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
SCHEMBL7616339 0.77 MEN1 (0.44) HTTL3MBTL1MAPTATMLMNA
SCHEMBL3700787 0.75 L3MBTL1 (0.47) HTTL3MBTL1MAPTATMLMNA
SCHEMBL7639356 0.75 MEN1 (0.44) HTTL3MBTL1MAPTATMLMNA
SCHEMBL6419856 0.74 MEN1 (0.44) HTTL3MBTL1MAPTATMLMNA
SCHEMBL29450730 0.73 LMNA (0.62) HTTL3MBTL1MAPTATMLMNA
SCHEMBL7640180 0.71 MEN1 (0.42) HTTL3MBTL1MAPTATMLMNA
SCHEMBL3689628 0.70 TGM2 (0.45) HTTL3MBTL1MAPTLMNASMN1; SMN2
SCHEMBL3691998 0.70 TGM2 (0.45) HTTL3MBTL1MAPTLMNASMN1; SMN2
SCHEMBL8737718 0.70 NPC1 (0.72) L3MBTL1MAPTATMLMNASMN1; SMN2
SCHEMBL9828159 0.70 HTT (0.58) HTTL3MBTL1MAPTATMLMNA

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-0957917-B1 VITRONECTIN RECEPTOR ANTAGONISTS SMITHKLINE BEECHAM CORP (US) 2005-12-07 — — EP disclosed
EP-1165569-B1 BORONIC ACID CONTAINING REAGENTS AND OLIGONUCLEOTIDES AGILENT TECHNOLOGIES INC (US) 2005-08-10 — — EP disclosed
US-6031117-A Boronic acid containing phosphoramidite reagents PROLINX INCORPORATED (US) 2000-02-29 — — US disclosed
US-6013783-A Boronic acid containing oligonucleotides and polynucleotides PROLINX INCORPORATED (US) 2000-01-11 — — US disclosed
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