SCHEMBL2399656

SCHEMBL2399656

CC=CC(=O)OCCCCOc1c(C)cc(C2(c3cc(C)c(OCCCCOC(=O)C=CC)c(C)c3)c3ccccc3-c3ccccc32)cc1C

nearest known ligand 0.40

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ESR1 P03372 1/20 0.40
ESR2 Q92731 1/20 0.40
PDK2 Q15119 4/20 0.35
MEN1 O00255 2/20 0.35
KMT2A Q03164 2/20 0.35
ATM Q13315 1/20 0.35
EGFR P00533 2/20 0.35
BTK Q06187 2/20 0.35
JAK3 P52333 1/20 0.35
POLB P06746 1/20 0.33
APP P05067 4/20 0.33
KDM4E B2RXH2 1/20 0.33
ALDH1A1 P00352 1/20 0.33
LMNA P02545 1/20 0.32
MAPT P10636 1/20 0.32
MDM2 Q00987 1/20 0.32

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
SCHEMBL2231764 0.87 ESR1 (0.44) ESR1ESR2PDK2MEN1KMT2A
SCHEMBL7073612 0.85 ESR1 (0.44) ESR1ESR2PDK2MEN1KMT2A
SCHEMBL2230363 0.83 MEN1 (0.40) PDK2MEN1KMT2APOLBKDM4E
SCHEMBL21829178 0.82 ESR1 (0.40) ESR1ESR2PDK2MEN1KMT2A
SCHEMBL21084449 0.82 ESR1 (0.47) ESR1ESR2PDK2MEN1KMT2A
SCHEMBL2230807 0.82 THRB (0.48) ESR1ESR2PDK2MEN1KMT2A
SCHEMBL16551559 0.82 THRB (0.48) ESR1ESR2PDK2MEN1KMT2A
SCHEMBL6428964 0.81 MEN1 (0.40) PDK2MEN1KMT2APOLBKDM4E
SCHEMBL382461 0.80 ESR1 (0.49) ESR1ESR2PDK2MEN1KMT2A
SCHEMBL2296144 0.79 KDM4E (0.40) MEN1KMT2APOLBKDM4EALDH1A1

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