SCHEMBL5035479

SCHEMBL5035479

OCCOCCc1cccc(C2(c3cccc(CCOCCO)c3)c3ccccc3-c3ccccc32)c1

nearest known ligand 0.39

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ESR1 P03372 1/20 0.39
ESR2 Q92731 1/20 0.39
PDK2 Q15119 12/20 0.38
MEN1 O00255 2/20 0.35
KMT2A Q03164 2/20 0.35
KDM4E B2RXH2 1/20 0.35
LMNA P02545 1/20 0.35
MAPT P10636 1/20 0.35
OPRK1 P41145 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
CYP4F2 P78329 1/20 0.33
CYP4A11 Q02928 1/20 0.33
TP53 P04637 2/20 0.31
MDM2 Q00987 2/20 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
SCHEMBL4819227 0.91 PDK2 (0.38) ESR1ESR2PDK2
SCHEMBL4824012 0.84 PDK2 (0.33) PDK2
SCHEMBL5358756 0.81 PTGS2 (0.34) PDK2
SCHEMBL1495219 0.79 PDK2 (0.47) ESR1ESR2PDK2MEN1KMT2A
SCHEMBL5095668 0.77 PDK2 (0.39) ESR1ESR2PDK2MEN1KMT2A
SCHEMBL1232426 0.76 PDK2 (0.46) PDK2
SCHEMBL8372995 0.75 PDK2 (0.53) ESR1ESR2PDK2MEN1KMT2A
SCHEMBL22829515 0.74 ESR1 (0.41) ESR1ESR2PDK2MEN1KMT2A
SCHEMBL31099332 0.74 ESR1 (0.41) ESR1ESR2PDK2MEN1KMT2A
SCHEMBL25516145 0.74 PDK2 (0.47) ESR1ESR2PDK2MEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7442421-B2 Electroluminescent materials and methods of manufacture and use 3M INNOVATIVE PROPERTIES COMPANY (US) 2008-10-28 US disclosed
US-20070237983-A1 ELECTROLUMINESCENT MATERIALS AND METHODS OF MANUFACTURE AND USE 3M INNOVATIVE PROPERTIES COMPANY 2007-10-11 US disclosed
US-7241512-B2 Light emitting polymers including a plurality of arylene monomeric units and a plurality of soft segment end caps, side chains and/or internal units 3M INNOVATIVE PROPERTIES COMPANY (US) 2007-07-10 US disclosed
EP-1497393-A1 ELECTROLUMINESCENT MATERIALS AND METHODS OF MANUFACTURE AND USE 3M Innovative Properties Company (US) 2005-01-19 EP disclosed
US-20030224205-A1 Electroluminescent materials and methods of manufacture and use 3M INNOVATIVE PROPERTIES COMPANY 2003-12-04 US disclosed
WO-2003089542-A1 ELECTROLUMINESCENT MATERIALS AND METHODS OF MANUFACTURE AND USE 3M INNOVATIVE PROPERTIES COMPANY (US) 2003-10-30 WO disclosed