SCHEMBL5070150

SCHEMBL5070150

C=CC(=O)C(C)(O)Cc1ccc(O)c(-n2nc3ccc(C#N)cc3n2)c1

nearest known ligand 0.38

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
TP53 P04637 1/20 0.36
THRB P10828 1/20 0.36
KDM4E B2RXH2 1/20 0.35
ALDH1A1 P00352 1/20 0.35
POLB P06746 1/20 0.35
HPGD P15428 1/20 0.35
ALOX15 P16050 1/20 0.35
MAPK1 P28482 1/20 0.35
HSD17B10 Q99714 1/20 0.35
MEN1 O00255 1/20 0.34
KMT2A Q03164 1/20 0.34
NPC1 O15118 1/20 0.33
LMNA P02545 1/20 0.33
RAB9A P51151 1/20 0.33
SLC22A12 Q96S37 1/20 0.31
RORC P51449 1/20 0.30
PKMYT1 Q99640 1/20 0.30

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 0.86 NPC1 (0.47) THRBKDM4EALDH1A1POLBHPGD
SCHEMBL5072336 0.85 MEN1 (0.36) TP53KDM4EALDH1A1POLBHPGD
SCHEMBL5140724 0.85 MEN1 (0.36) TP53KDM4EALDH1A1POLBHPGD
SCHEMBL25407160 0.78 KDM4E (0.41) TP53THRBKDM4EALDH1A1POLB
SCHEMBL13699406 0.77 KDM4E (0.46) TP53THRBKDM4EALDH1A1POLB
SCHEMBL5068599 0.76 NPC1 (0.45) KDM4EALDH1A1POLBHPGDALOX15
SCHEMBL5064193 0.74 KDM4E (0.40) TP53THRBKDM4EALDH1A1POLB
SCHEMBL105876 0.73 KDM4E (0.41) TP53THRBKDM4EALDH1A1POLB
SCHEMBL29384272 0.73 KDM4E (0.41) TP53THRBKDM4EALDH1A1POLB
SCHEMBL5315336 0.72 NPC1 (0.34) TP53THRBMEN1KMT2ANPC1

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