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SCHEMBL5498044

SCHEMBL5498044

CCCCCCCCC1(CCCCCCCC)c2ccccc2-c2cccc(-c3ccc4c(c3)C3(c5cc(-c6cccc7c6C(CCCCCCCC)(CCCCCCCC)c6ccccc6-7)ccc5-4)c4cc(-c5cccc6c5C(CCCCCCCC)(CCCCCCCC)c5ccccc5-6)ccc4-c4ccc(-c5cccc6c5C(CCCCCCCC)(CCCCCCCC)c5ccccc5-6)cc43)c21

nearest known ligand 0.37

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ PDK2 Q15119 10/20 0.37
▸ PTPN11 Q06124 2/20 0.35
▸ MMP2 P08253 4/20 0.35
▸ MMP9 P14780 4/20 0.35
▸ MMP8 P22894 2/20 0.35
▸ MMP13 P45452 2/20 0.35
▸ GPR3 P46089 1/20 0.32
▸ APEX1 P27695 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
SCHEMBL5501709 0.89 PDK2 (0.37) PDK2APEX1
SCHEMBL5660864 0.88 PDK2 (0.39) PDK2PTPN11MMP2MMP9MMP8
SCHEMBL5662403 0.88 PDK2 (0.39) PDK2PTPN11MMP2MMP9MMP8
SCHEMBL3939720 0.85 PDK2 (0.36) PDK2APEX1
SCHEMBL28006780 0.85 SOAT1 (0.43) MMP2MMP9MMP8MMP13APEX1
SCHEMBL3457057 0.85 PDK2 (0.39) PDK2PTPN11MMP2MMP9MMP8
SCHEMBL4454321 0.84 MMP2 (0.42) PDK2MMP2MMP9MMP8MMP13
SCHEMBL1994589 0.83 PDK2 (0.41) PDK2PTPN11MMP2MMP9MMP8
SCHEMBL28134197 0.83 MMP2 (0.35) PDK2PTPN11MMP2MMP9MMP8
SCHEMBL28150865 0.83 ESR1 (0.37) PDK2MMP2MMP9MMP8MMP13

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
EP-1425168-A4 LIGHT-EMITTING ORGANIC OLIGOMER COMPOSITIONS UNIV ROCHESTER (US) 2007-01-03 — — EP disclosed
US-7057009-B2 Crosslinking polyfluorene; molecular orientation UNIVERSITY OF ROCHESTER (US) 2006-06-06 — — US disclosed
EP-1425168-A2 LIGHT-EMITTING ORGANIC OLIGOMER COMPOSITIONS University of Rochester (US) 2004-06-09 — — EP disclosed
US-20030039838-A1 Light-emitting organic oligomer compositions UNIVERSITY OF ROCHESTER 2003-02-27 — — US disclosed
WO-2003008475-A2 LIGHT-EMITTING ORGANIC OLIGOMER COMPOSITIONS UNIVERSITY OF ROCHESTER (US) 2003-01-30 — — WO disclosed