SCHEMBL9705684

SCHEMBL9705684

CCOC(=O)CC[Si](C)(OCC)OCC

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 1/20 0.45
GAA P10253 2/20 0.44
MGAM O43451 1/20 0.44
SI P14410 1/20 0.44
MGAM2 Q2M2H8 1/20 0.44
ALDH1A1 P00352 5/20 0.41
TRPA1 O75762 1/20 0.41
LMNA P02545 2/20 0.40
POLB P06746 1/20 0.40
TSHR P16473 1/20 0.40
CYP4F2 P78329 2/20 0.38
CYP4A11 Q02928 2/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
L3MBTL1 Q9Y468 2/20 0.37
NR1I2 O75469 1/20 0.37
PGR P06401 1/20 0.37
ADORA3 P0DMS8 1/20 0.37
PTGS2 P35354 1/20 0.37
PDE4D Q08499 1/20 0.37
MAPK1 P28482 1/20 0.37

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
SCHEMBL9147241 0.85 CYP1A2 (0.48) CYP1A2GAAMGAMSIMGAM2
SCHEMBL13151056 0.83 ALDH1A1 (0.46) CYP1A2GAAMGAMSIMGAM2
SCHEMBL15834147 0.82 CYP1A2 (0.44) CYP1A2GAAMGAMSIMGAM2
SCHEMBL3682278 0.81 CYP1A2 (0.47) CYP1A2GAAMGAMSIMGAM2
SCHEMBL3912041 0.80 GAA (0.50) CYP1A2GAAMGAMSIMGAM2
SCHEMBL2885818 0.80 GAA (0.50) CYP1A2GAAMGAMSIMGAM2
SCHEMBL17790072 0.79 CYP1A2 (0.40) CYP1A2GAAMGAMSIMGAM2
SCHEMBL31042732 0.79 LTA4H (0.43) CYP1A2GAAMGAMSIMGAM2
SCHEMBL28404822 0.79 DGKA (0.41) CYP1A2GAALMNAPOLBTSHR
SCHEMBL13151035 0.78 CYP1A2 (0.48) CYP1A2GAAMGAMSIMGAM2

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0224562-B1 SILANE MODIFIED POLYMERS PCR GROUP, INC. (US) 1992-07-22 EP disclosed
US-4775725-A Silane modified polymers PCR, INC. (US) 1988-10-04 US disclosed
EP-0224562-A4 SILANE MODIFIED POLYMERS. SCM CORP (US) 1987-09-15 EP disclosed
EP-0224562-A1 SILANE MODIFIED POLYMERS. SCM CORP (US) 1987-06-10 EP disclosed
WO-1986007072-A1 SILANE MODIFIED POLYMERS SCM CORPORATION (US) 1986-12-04 WO disclosed