SCHEMBL10065615

SCHEMBL10065615

CCCCC(C)(C)Oc1ccc(C2(c3ccc(OC(=O)C(C)(C)CCC)c(C)c3)c3ccccc3-c3ccccc32)cc1C

nearest known ligand 0.40

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
ESR1 P03372 1/20 0.40
ESR2 Q92731 1/20 0.40
ELANE P08246 1/20 0.34
PDK2 Q15119 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
SCHEMBL13448621 0.97 ESR1 (0.40) ESR1ESR2ELANEPDK2
SCHEMBL823264 0.95 ESR1 (0.42) ESR1ESR2ELANE
SCHEMBL10065614 0.93 ESR1 (0.40) ESR1ESR2ELANEPDK2
SCHEMBL18648920 0.92 ESR1 (0.41) ESR1ESR2ELANE
SCHEMBL12346214 0.92 ESR1 (0.41) ESR1ESR2ELANEPDK2
SCHEMBL18648919 0.91 ESR1 (0.38) ESR1ESR2ELANE
SCHEMBL13443486 0.89 ESR1 (0.38) ESR1ESR2ELANE
SCHEMBL14477155 0.88 ESR1 (0.39) ESR1ESR2PDK2
SCHEMBL23034825 0.87 ESR1 (0.55) ESR1ESR2
SCHEMBL13443125 0.86 ESR1 (0.38) ESR1ESR2ELANEPDK2

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
EP-2163922-B1 OPTICAL FILM TEIJIN CHEMICALS LTD (JP) 2012-01-25 EP disclosed