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SCHEMBL2399653

SCHEMBL2399653

C=C(C)C(=O)OC(C)CCOc1c(C)cc(C2(c3cc(C)c(OCCC(C)OC(=O)C(=C)C)c(C)c3)c3ccccc3-c3ccccc32)cc1C

nearest known ligand 0.38

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
▸ ESR1 P03372 1/20 0.38
▸ ESR2 Q92731 1/20 0.38
▸ PDK2 Q15119 3/20 0.33
▸ MEN1 O00255 1/20 0.30
▸ KMT2A Q03164 1/20 0.30

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
SCHEMBL2397383 0.89 ESR1 (0.40) ESR1ESR2PDK2
SCHEMBL2231759 0.88 ESR1 (0.42) ESR1ESR2PDK2MEN1KMT2A
SCHEMBL2235154 0.85 ESR1 (0.38) ESR1ESR2PDK2
SCHEMBL2230357 0.84 PDK2 (0.39) PDK2MEN1KMT2A
SCHEMBL16592777 0.84 ESR1 (0.42) ESR1ESR2PDK2MEN1KMT2A
SCHEMBL2397387 0.83 ESR1 (0.41) ESR1ESR2PDK2MEN1KMT2A
SCHEMBL2296138 0.80 KDM4E (0.37) MEN1KMT2A
SCHEMBL2234164 0.79 ESR1 (0.43) ESR1ESR2PDK2MEN1KMT2A
SCHEMBL534806 0.75 PDK2 (0.39) ESR1ESR2PDK2MEN1KMT2A
SCHEMBL28627462 0.75 ESR1 (0.36) ESR1ESR2MEN1KMT2A

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-8492450-B2 Siloxane resin composition and protective film for touch panel using the same TORAY INDUSTRIES, INC. (JP) 2013-07-23 — — US disclosed
US-20110230584-A1 SILOXANE RESIN COMPOSITION AND PROTECTIVE FILM FOR TOUCH PANEL USING THE SAME TORAY INDUSTRIES, INC. (JP) 2011-09-22 — — US disclosed