Sugi Predict

Sugi Predict / Compounds / SCHEMBL431657

SCHEMBL431657

SCHEMBL431657

CC1(C(F)(F)F)c2cc(-c3ccccc3)ccc2-c2ccc(-c3ccc4c(c3)C(C)(C(F)(F)F)c3cc(-c5ccc6cc(-c7ccc8ccccc8c7)ccc6c5)ccc3-4)cc21

nearest known ligand 0.54

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ PDK2 Q15119 15/20 0.54
▸ LPL P06858 1/20 0.43
▸ LIPG Q9Y5X9 1/20 0.43
▸ AKR1C3 P42330 1/20 0.43
▸ AKR1C2 P52895 1/20 0.43
▸ ESR1 P03372 2/20 0.42
▸ ESR2 Q92731 2/20 0.42
▸ ALOX5 P09917 1/20 0.41

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
SCHEMBL14367163 0.91 PDK2 (0.44) PDK2LPLLIPGAKR1C3AKR1C2
SCHEMBL429090 0.91 PDK2 (0.50) PDK2
SCHEMBL431261 0.91 PDK2 (0.50) PDK2
SCHEMBL14367164 0.88 PDK2 (0.56) PDK2
SCHEMBL464553 0.88 PDK2 (0.56) PDK2AKR1C3AKR1C2ESR1ESR2
SCHEMBL431275 0.87 PDK2 (0.47) PDK2
SCHEMBL430001 0.87 PDK2 (0.47) PDK2
SCHEMBL429088 0.87 PDK2 (0.47) PDK2
SCHEMBL13852779 0.82 PDK2 (0.49) PDK2ESR1ESR2ALOX5
SCHEMBL13852764 0.82 PDK2 (0.49) PDK2ESR1ESR2ALOX5

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-8841004-B2 Binaphthyl compound and organic light emitting element using the same CANON KABUSHIKI KAISHA (JP) 2014-09-23 — — US disclosed
US-20120061657-A1 BINAPHTHYL COMPOUND AND ORGANIC LIGHT EMITTING ELEMENT USING THE SAME CANON KABUSHIKI KAISHA (JP) 2012-03-15 — — US disclosed