SCHEMBL5095668

SCHEMBL5095668

OCCOCCc1ccc(C2(c3ccc(CCOCCO)cc3)c3ccccc3-c3ccc(Br)cc32)cc1

nearest known ligand 0.39

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
PDK2 Q15119 10/20 0.39
MEN1 O00255 2/20 0.36
KMT2A Q03164 2/20 0.36
KDM4E B2RXH2 1/20 0.36
LMNA P02545 1/20 0.36
MAPT P10636 1/20 0.36
OPRK1 P41145 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
ESR1 P03372 1/20 0.35
ESR2 Q92731 1/20 0.35
MDM2 Q00987 3/20 0.33
MAOA P21397 1/20 0.33
MAOB P27338 1/20 0.33
OPRM1 P35372 1/20 0.32
OPRD1 P41143 1/20 0.32
POLB P06746 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
SCHEMBL5108743 0.94 MAOA (0.36) PDK2MEN1KMT2ALMNASMN1; SMN2
SCHEMBL4819227 0.88 PDK2 (0.38) PDK2ESR1ESR2OPRM1OPRD1
SCHEMBL4824012 0.83 PDK2 (0.33) PDK2
SCHEMBL5095663 0.83 PDK2 (0.41) PDK2OPRM1OPRD1
SCHEMBL5108740 0.80 PDK2 (0.40) PDK2
SCHEMBL5035479 0.77 ESR1 (0.39) PDK2MEN1KMT2AKDM4ELMNA
SCHEMBL973220 0.76 MEN1 (0.46) PDK2MEN1KMT2AKDM4ELMNA
SCHEMBL16502179 0.76 GPR3 (0.44) PDK2MEN1KMT2AKDM4ELMNA
SCHEMBL15132545 0.76 GPR3 (0.44) PDK2MEN1KMT2AKDM4ELMNA
SCHEMBL29523761 0.75 PDK2 (0.50) PDK2MEN1KMT2AKDM4ELMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20080026135-A1 ELECTRON TRANSPORT AGENTS FOR ORGANIC ELECTRONIC DEVICES 3M INNOVATIVE PROPERTIES COMPANY 2008-01-31 US disclosed
US-7271406-B2 Electron transport agents for organic electronic devices 3M INNOVATIVE PROPERTIES COMPANY (US) 2007-09-18 US disclosed
EP-1618169-A1 ELECTRON TRANSPORT AGENTS FOR ORGANIC ELECTRONIC DEVICES 3M Innovative Properties Company (US) 2006-01-25 EP disclosed
WO-2004096948-A1 ELECTRON TRANSPORT AGENTS FOR ORGANIC ELECTRONIC DEVICES 3M INNOVATIVE PROPERTIES COMPANY (US) 2004-11-11 WO disclosed
US-20040214036-A1 Electron transport agents for organic electronic devices 3M INNOVATIVE PROPERTIES COMPANY 2004-10-28 US disclosed