SCHEMBL2397387

SCHEMBL2397387

C=C(C)C(=O)OCCCOc1c(C)cc(C2(c3cc(C)c(OCCCOC(=O)C(=C)C)c(C)c3)c3ccccc3-c3ccccc32)cc1C

nearest known ligand 0.41

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ESR1 P03372 1/20 0.41
ESR2 Q92731 1/20 0.41
POLB P06746 1/20 0.39
APEX1 P27695 1/20 0.39
HTT P42858 1/20 0.39
TDP1 Q9NUW8 1/20 0.39
TSHR P16473 2/20 0.36
PDK2 Q15119 7/20 0.34
MEN1 O00255 2/20 0.33
KMT2A Q03164 2/20 0.33
ATM Q13315 1/20 0.33
THRB P10828 1/20 0.31
CA1 P00915 1/20 0.31
CA2 P00918 1/20 0.31
ALDH1A1 P00352 2/20 0.31
MAPT P10636 2/20 0.31
TDP2 O95551 1/20 0.31

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
SCHEMBL16592777 0.94 ESR1 (0.42) ESR1ESR2POLBAPEX1HTT
SCHEMBL2234170 0.87 ESR1 (0.45) ESR1ESR2POLBAPEX1HTT
SCHEMBL21829178 0.85 ESR1 (0.40) ESR1ESR2POLBPDK2MEN1
SCHEMBL2399653 0.83 ESR1 (0.38) ESR1ESR2PDK2MEN1KMT2A
SCHEMBL534807 0.82 POLB (0.53) POLBAPEX1HTTTDP1TSHR
SCHEMBL2231834 0.81 ESR1 (0.46) ESR1ESR2POLBAPEX1HTT
SCHEMBL2397383 0.80 ESR1 (0.40) ESR1ESR2PDK2
SCHEMBL534652 0.80 POLB (0.50) POLBAPEX1HTTTDP1TSHR
SCHEMBL4956473 0.79 TDP1 (0.37) ESR1ESR2POLBAPEX1HTT
SCHEMBL383176 0.79 ESR1 (0.50) ESR1ESR2PDK2MEN1KMT2A

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