SCHEMBL28063190

SCHEMBL28063190

C=CCC(CCCC)C(=O)O[SiH2]CCC

nearest known ligand 0.40

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
CA2 P00918 7/20 0.40
CA1 P00915 4/20 0.40
TSHR P16473 4/20 0.38
MAPK1 P28482 1/20 0.36
HPGD P15428 2/20 0.34
CYP3A4 P08684 1/20 0.33
ATM Q13315 1/20 0.33
TDP1 Q9NUW8 1/20 0.33
MAPT P10636 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
ALDH1A1 P00352 1/20 0.33
GAA P10253 1/20 0.33
SLC1A3 P43003 1/20 0.32
SLC1A2 P43004 1/20 0.32
SLC1A1 P43005 1/20 0.32
FAAH O00519 1/20 0.31
CTSK P43235 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
SCHEMBL707670 0.80 CA2 (0.50) CA2CA1TSHRMAPK1CYP3A4
SCHEMBL29051932 0.79 CA2 (0.65) CA2CA1TSHRMAPK1HPGD
SCHEMBL4357657 0.79 CA2 (0.46) CA2CA1TSHRMAPK1HPGD
SCHEMBL28952855 0.79 CA2 (0.46) CA2CA1TSHRMAPK1HPGD
SCHEMBL704796 0.79 CA2 (0.48) CA2CA1TSHRMAPK1CYP3A4
SCHEMBL706149 0.79 CA2 (0.48) CA2CA1TSHRMAPK1CYP3A4
SCHEMBL7870604 0.78 CA2 (0.44) CA2CA1TSHRMAPK1HPGD
SCHEMBL28087826 0.78 CA2 (0.62) CA2CA1TSHRMAPK1HPGD
SCHEMBL28063217 0.78 TSHR (0.53) CA2CA1TSHRMAPK1HPGD
SCHEMBL4061141 0.78 CA2 (0.44) CA2CA1TSHRMAPK1HPGD

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
CN-103391947-B Stabilization of polymers containing hydrolyzable functional groups 株式会社普利司通 2016-08-24 CN disclosed