SCHEMBL5358756

SCHEMBL5358756

OCCOCCc1cccc(C2(c3cccc(CCOCCO)c3)c3ccccc3-c3ccc(-c4ccc5c(c4)c4cc(-c6ccc7c(c6)C(c6cccc(CCOCCO)c6)(c6cccc(CCOCCO)c6)c6ccccc6-7)ccc4n5-c4ccccc4)cc32)c1

nearest known ligand 0.34

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 1/20 0.34
PDK2 Q15119 2/20 0.32

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
SCHEMBL5035479 0.81 ESR1 (0.39) PDK2
SCHEMBL4819227 0.77 PDK2 (0.38) PDK2
SCHEMBL10085084 0.77 KDM4E (0.45) PDK2
SCHEMBL18086157 0.76 KDM4E (0.42) PDK2
SCHEMBL17720823 0.76 KDM4E (0.44)
SCHEMBL15339778 0.76 KDM4E (0.36) PDK2
SCHEMBL18963077 0.75 KDM4E (0.43) PDK2
SCHEMBL17720816 0.74 KDM4E (0.42) PDK2
SCHEMBL17720836 0.74 KDM4E (0.42) PDK2
SCHEMBL15293752 0.74 KDM4E (0.39) PDK2

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
US-7282275-B2 Materials for organic electronic devices 3M INNOVATIVE PROPERTIES COMPANY (US) 2007-10-16 US disclosed
US-20030219625-A1 Materials for organic electronic devices 3M INNOVATIVE PROPERTIES COMPANY 2003-11-27 US disclosed
WO-2003090502-A2 MATERIALS FOR ORGANIC ELECTRONIC DEVICES 3M INNOVATIVE PROPERTIES COMPANY (US) 2003-10-30 WO disclosed