SCHEMBL6435517

SCHEMBL6435517

C=CCC(OC([SiH3])=C(C)C)c1ccccc1

nearest known ligand 0.42

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
CYP2C19 P33261 1/20 0.42
PPARG P37231 1/20 0.40
PPARA Q07869 1/20 0.40
SMN1; SMN2 Q16637 2/20 0.36
ALOX5 P09917 1/20 0.34
ALDH1A1 P00352 4/20 0.34
MAPT P10636 2/20 0.33
PABPC1 P11940 1/20 0.33
APOBEC3A P31941 1/20 0.33
APOBEC3G Q9HC16 1/20 0.33
KDM4E B2RXH2 1/20 0.33
ALOX15 P16050 1/20 0.33
HSD17B10 Q99714 1/20 0.33
HCAR2 Q8TDS4 1/20 0.33
TRPA1 O75762 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.32
CYP3A4 P08684 1/20 0.31
GSR P00390 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
SCHEMBL6434417 0.85 CYP2C19 (0.34) CYP2C19SMN1; SMN2ALDH1A1PABPC1APOBEC3A
SCHEMBL6435585 0.83 LMNA (0.35) ALDH1A1MAPTPABPC1APOBEC3AAPOBEC3G
SCHEMBL22436286 0.81 CYP2C19 (0.53) CYP2C19PPARGPPARASMN1; SMN2ALOX5
SCHEMBL27983309 0.81 CYP2C19 (0.53) CYP2C19PPARGPPARASMN1; SMN2ALOX5
SCHEMBL12143882 0.81 CYP2C19 (0.53) CYP2C19PPARGPPARASMN1; SMN2ALOX5
SCHEMBL17964196 0.77 CYP2C19 (0.56) CYP2C19PPARGPPARASMN1; SMN2ALOX5
SCHEMBL19999148 0.77 CYP2C19 (0.56) CYP2C19PPARGPPARASMN1; SMN2ALOX5
SCHEMBL11032151 0.77 CYP2C19 (0.56) CYP2C19PPARGPPARASMN1; SMN2ALOX5
SCHEMBL28948579 0.76 CYP2C19 (0.54) CYP2C19PPARGPPARASMN1; SMN2ALOX5
SCHEMBL6438865 0.76 ALDH1A1 (0.33) CYP2C19ALDH1A1MAPTKDM4EALOX15

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-6867323-B2 Cross-coupling reaction of organosilicon nucleophiles THE BOARD OF TRUSTEES OF THE UNIVERSITY OF ILLINOIS (US) 2005-03-15 US disclosed