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Sugi Predict / Compounds / SCHEMBL14600424

SCHEMBL14600424

SCHEMBL14600424

CC(C)(C)Oc1ccc(-c2c3ccccc3c(-c3c4ccccc4c(-c4ccc5c(c4)C(C)(C)c4cc(-c6ccc7c(c6)C(C)(C)c6ccccc6-7)ccc4-5)c4ccccc34)c3ccccc23)cc1

nearest known ligand 0.40

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ PDK2 Q15119 16/20 0.40
▸ KIF11 P52732 1/20 0.35
▸ PPARG P37231 2/20 0.33
▸ PPARA Q07869 2/20 0.33
▸ CYP2C9 P11712 1/20 0.33
▸ CYP2C19 P33261 1/20 0.33
▸ PPARD Q03181 1/20 0.33

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
SCHEMBL14600492 1.00 PDK2 (0.40) PDK2KIF11PPARGPPARACYP2C9
SCHEMBL14600451 0.99 PDK2 (0.38) PDK2KIF11PPARGPPARACYP2C9
SCHEMBL14600376 0.99 PDK2 (0.38) PDK2KIF11PPARGPPARACYP2C9
SCHEMBL14600429 0.99 PDK2 (0.41) PDK2KIF11PPARGPPARACYP2C9
SCHEMBL14600356 0.99 PDK2 (0.41) PDK2KIF11PPARGPPARACYP2C9
SCHEMBL14600386 0.97 PDK2 (0.39) PDK2KIF11PPARGPPARACYP2C9
SCHEMBL14600325 0.97 PDK2 (0.39) PDK2KIF11PPARGPPARACYP2C9
SCHEMBL14600475 0.96 PDK2 (0.37) PDK2KIF11PPARGPPARACYP2C9
SCHEMBL14600405 0.95 PDK2 (0.38) PDK2KIF11PPARGPPARACYP2C9
SCHEMBL14600418 0.95 KIF11 (0.38) PDK2KIF11PPARGPPARACYP2C9

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 1 patent. 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