SCHEMBL8899641

SCHEMBL8899641

C=C(C)C(=O)OCCC[Si](CCCOC(=O)C(=C)C)(Oc1ccccc1)Oc1ccccc1

nearest known ligand 0.50

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 3/20 0.50
POLB P06746 1/20 0.50
APEX1 P27695 1/20 0.50
HTT P42858 1/20 0.50
TSHR P16473 3/20 0.44
L3MBTL1 Q9Y468 1/20 0.40
ELANE P08246 1/20 0.39
THRB P10828 2/20 0.38
MTNR1A P48039 2/20 0.38
MTNR1B P49286 2/20 0.38
RECQL P46063 1/20 0.35
CA1 P00915 1/20 0.35
CA2 P00918 1/20 0.35
ALDH1A1 P00352 1/20 0.34
MAPT P10636 1/20 0.34

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
SCHEMBL2166946 0.93 TDP1 (0.47) TDP1POLBAPEX1HTTTSHR
SCHEMBL230778 0.89 TDP1 (0.50) TDP1POLBAPEX1HTTTSHR
SCHEMBL229200 0.87 TDP1 (0.49) TDP1POLBAPEX1HTTTSHR
SCHEMBL230550 0.87 TDP1 (0.49) TDP1POLBAPEX1HTTTSHR
SCHEMBL8899918 0.87 TDP1 (0.49) TDP1POLBAPEX1HTTTSHR
SCHEMBL2167795 0.85 TDP1 (0.47) TDP1POLBAPEX1HTTTSHR
SCHEMBL7617869 0.82 TDP1 (0.40) TDP1POLBAPEX1HTTTSHR
SCHEMBL230780 0.82 TDP1 (0.49) TDP1POLBAPEX1HTTTSHR
SCHEMBL4577427 0.80 TDP1 (0.73) TDP1POLBAPEX1HTTTSHR
SCHEMBL1404303 0.80 TDP1 (0.68) TDP1POLBAPEX1HTTTSHR

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
US-5700874-A CONJUGATED DIENE/VINYLAROMATIC HYDROCARBON COPOLYMER MODIFIED WITH ALKOXYSILANE BRIDGESTONE CORPORATION (JP) 1997-12-23 US disclosed