SCHEMBL5068599

SCHEMBL5068599

C=CC(=O)C(C)(O)CCc1ccc(O)c(-n2nc3ccccc3n2)c1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 5/20 0.45
RAB9A P51151 5/20 0.45
LMNA P02545 2/20 0.45
ALDH1A1 P00352 5/20 0.36
KDM4E B2RXH2 4/20 0.36
HPGD P15428 4/20 0.36
MAPT P10636 3/20 0.36
POLB P06746 3/20 0.34
ALOX15 P16050 1/20 0.34
MAPK1 P28482 1/20 0.34
HSD17B10 Q99714 1/20 0.34
SMN1; SMN2 Q16637 2/20 0.33
HSP90AA1 P07900 3/20 0.32
PPARG P37231 1/20 0.32
PPARA Q07869 1/20 0.32
HSP90AB1 P08238 1/20 0.31
MGLL Q99685 1/20 0.31
AR P10275 1/20 0.31
MEN1 O00255 1/20 0.31
KMT2A Q03164 1/20 0.31

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
SCHEMBL27667568 0.89 NPC1 (0.47) NPC1RAB9ALMNAALDH1A1KDM4E
SCHEMBL5072336 0.78 MEN1 (0.36) NPC1RAB9ALMNAALDH1A1KDM4E
SCHEMBL5140724 0.78 MEN1 (0.36) NPC1RAB9ALMNAALDH1A1KDM4E
SCHEMBL4147906 0.77 NPC1 (0.43) NPC1RAB9ALMNAALDH1A1KDM4E
SCHEMBL29378372 0.76 APP (0.46) NPC1RAB9ALMNAALDH1A1KDM4E
SCHEMBL259532 0.76 APP (0.46) NPC1RAB9ALMNAALDH1A1KDM4E
SCHEMBL5070150 0.76 TP53 (0.36) NPC1RAB9ALMNAALDH1A1KDM4E
SCHEMBL4195747 0.75 LMNA (0.43) NPC1RAB9ALMNAALDH1A1KDM4E
SCHEMBL29514790 0.75 LMNA (0.43) NPC1RAB9ALMNAALDH1A1KDM4E
SCHEMBL7190934 0.75 RAB9A (0.51) NPC1RAB9ALMNAALDH1A1KDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1339113-B1 PACKAGING MATERIAL FOR ELECTRONIC-PART CASE, AND OTHERS SHOWA DENKO PACKAGING CO (JP) 2008-04-09 EP disclosed
US-20040142190-A1 acrylic polymer layer having hindered amine, cycloalkyl or benzotriazole groups between an aluminum foil layer and a thermoplastic resin not-drawn film inner layer; heat resistant resin drawn film outer layer SHOWA DENKO PACKAGING CO. (JP) 2004-07-22 US disclosed
EP-1339113-A1 PACKAGING MATERIAL FOR ELECTRONIC-PART CASE, AND OTHERS Showa Denko Packaging Co. (JP) 2003-08-27 EP disclosed