Sugi Predict

Sugi Predict / Compounds / SCHEMBL6064313

SCHEMBL6064313

SCHEMBL6064313

CCC[SiH2]OC(CCOCC1CO1)(OCC)OCC

nearest known ligand 0.45

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
▸ SMN1; SMN2 Q16637 1/20 0.45
▸ ALDH1A1 P00352 3/20 0.43
▸ TDP1 Q9NUW8 1/20 0.43
▸ TSHR P16473 2/20 0.39
▸ MAPK1 P28482 1/20 0.36

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
SCHEMBL6064008 0.87 SMN1; SMN2 (0.46) SMN1; SMN2ALDH1A1TDP1TSHRMAPK1
SCHEMBL25882446 0.74 SMN1; SMN2 (0.59) SMN1; SMN2ALDH1A1TDP1TSHRMAPK1
SCHEMBL6287430 0.72 SMN1; SMN2 (0.47) SMN1; SMN2ALDH1A1TDP1TSHRMAPK1
SCHEMBL27996470 0.71 SMN1; SMN2 (0.50) SMN1; SMN2ALDH1A1TDP1TSHRMAPK1
SCHEMBL14832615 0.70 TSHR (0.54) SMN1; SMN2ALDH1A1TDP1TSHRMAPK1
SCHEMBL1360909 0.70 SMN1; SMN2 (0.53) SMN1; SMN2ALDH1A1TDP1TSHRMAPK1
SCHEMBL28690809 0.69 ALDH1A1 (0.50) SMN1; SMN2ALDH1A1TDP1TSHRMAPK1
SCHEMBL27840849 0.69 TSHR (0.48) SMN1; SMN2ALDH1A1TDP1TSHRMAPK1
Water SCHEMBL28215827 0.69 SMN1; SMN2 (0.47) SMN1; SMN2ALDH1A1TDP1TSHRMAPK1
SCHEMBL1792687 0.69 SMN1; SMN2 (0.61) SMN1; SMN2ALDH1A1TDP1TSHRMAPK1

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-7141306-B1 Sol-gel composition and process for coating aerospace alloys CESSNA AIRCRAFT COMPANY (US) 2006-11-28 — — US disclosed