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SCHEMBL14600397

SCHEMBL14600397

CC1(C)c2ccccc2-c2ccc(-c3ccc4c(c3)C(C)(C)c3cc(-c5c6ccccc6c(-c6ccc7c(c6)C(C)(C)c6cc(N(c8cccc9ccccc89)c8cccc9ccccc89)ccc6-7)c6ccccc56)ccc3-4)cc21

nearest known ligand 0.32

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ PDK2 Q15119 7/20 0.32
▸ SIGMAR1 Q99720 1/20 0.31
▸ CA12 O43570 2/20 0.31
▸ CA1 P00915 2/20 0.31
▸ CA2 P00918 2/20 0.31
▸ CA9 Q16790 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
SCHEMBL25775708 0.99 PDK2 (0.32) PDK2SIGMAR1
SCHEMBL25783524 0.96 PDK2 (0.30) PDK2
SCHEMBL25775873 0.96 PDK2 (0.30) PDK2
SCHEMBL12770689 0.94 DHFR (0.31) PDK2SIGMAR1
SCHEMBL15237240 0.94 PDK2 (0.30) PDK2SIGMAR1CA12CA1CA2
SCHEMBL25776742 0.93 PIM1 (0.31) —
SCHEMBL25783674 0.93 — —
SCHEMBL17740584 0.92 PDK2 (0.34) PDK2SIGMAR1CA12CA1CA2
SCHEMBL19152690 0.92 PDK2 (0.34) PDK2SIGMAR1CA12CA1CA2
SCHEMBL13766286 0.91 SIGMAR1 (0.32) SIGMAR1

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-7166240-B2 Hydrocarbon compounds, materials for organic electroluminescent elements and organic electroluminescent elements MITSUI CHEMICALS, INC. (JP) 2007-01-23 — — US disclosed
US-7166240-B2 Hydrocarbon compounds, materials for organic electroluminescent elements and organic electroluminescent elements MITSUI CHEMICALS, INC. (JP) 2007-01-23 — — US disclosed
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