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SCHEMBL5664720

SCHEMBL5664720

CCCC1(CCC)c2ccccc2-c2ccc(-c3ccc4c(c3)C(CCC)(CCC)c3cc(-c5ccc6c(c5)C5(c7cc(-c8ccc9c(c8)C(CCC)(CCC)c8cc(-c%10ccc%11c(c%10)C(CCC)(CCC)c%10ccccc%10-%11)ccc8-9)ccc7-6)c6cc(-c7ccc8c(c7)C(CCC)(CCC)c7cc(-c9ccc%10c(c9)C(CCC)(CCC)c9ccccc9-%10)ccc7-8)ccc6-c6ccc(-c7ccc8c(c7)C(CCC)(CCC)c7cc(-c9ccc%10c(c9)C(CCC)(CCC)c9ccccc9-%10)ccc7-8)cc65)ccc3-4)cc21

nearest known ligand 0.40

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
▸ APEX1 P27695 1/20 0.40
▸ PDK2 Q15119 17/20 0.39
▸ PGR P06401 2/20 0.38

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
SCHEMBL5663195 1.00 APEX1 (0.40) APEX1PDK2PGR
SCHEMBL9781137 0.95 APEX1 (0.43) APEX1PDK2PGR
SCHEMBL5662403 0.88 PDK2 (0.39) APEX1PDK2
SCHEMBL5660864 0.88 PDK2 (0.39) APEX1PDK2
SCHEMBL5499089 0.86 PDK2 (0.43) APEX1PDK2PGR
SCHEMBL5501709 0.86 PDK2 (0.37) APEX1PDK2PGR
SCHEMBL3289778 0.85 PDK2 (0.45) APEX1PDK2PGR
SCHEMBL30132162 0.85 PDK2 (0.45) APEX1PDK2PGR
SCHEMBL16294578 0.85 PDK2 (0.45) APEX1PDK2PGR
SCHEMBL416688 0.84 APEX1 (0.38) APEX1PDK2PGR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7057009-B2 Crosslinking polyfluorene; molecular orientation UNIVERSITY OF ROCHESTER (US) 2006-06-06 — — US disclosed
US-20030039838-A1 Light-emitting organic oligomer compositions UNIVERSITY OF ROCHESTER 2003-02-27 — — US disclosed