SCHEMBL8943110

SCHEMBL8943110

CCCCC(CC)CO[Si](OCC(CC)CCCC)(OCC(CC)CCCC)OCC(CC)CCCC.COCCO[Si](OCCOC)(OCCOC)OCCOC

nearest known ligand 0.47

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 6/20 0.47
L3MBTL1 Q9Y468 1/20 0.47
ALDH1A1 P00352 7/20 0.45
TSHR P16473 4/20 0.40
TDP1 Q9NUW8 3/20 0.40
ATM Q13315 1/20 0.40
MMP9 P14780 1/20 0.38
MMP8 P22894 1/20 0.38
MMP14 P50281 1/20 0.38
CA2 P00918 4/20 0.36
RECQL P46063 1/20 0.34
LMNA P02545 2/20 0.33
MAPK1 P28482 1/20 0.32
HSD17B10 Q99714 1/20 0.32
PRSS1 P07477 1/20 0.31
PRSS2 P07478 1/20 0.31
PRSS3 P35030 1/20 0.31
CA1 P00915 1/20 0.30

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
SCHEMBL295927 0.87 CYP3A4 (0.53) CYP3A4L3MBTL1ALDH1A1TSHRTDP1
SCHEMBL4811507 0.86 CYP3A4 (0.47) CYP3A4L3MBTL1ALDH1A1TSHRTDP1
SCHEMBL9343544 0.82 CYP3A4 (0.48) CYP3A4L3MBTL1ALDH1A1TSHRTDP1
SCHEMBL11245290 0.82 CYP3A4 (0.48) CYP3A4L3MBTL1ALDH1A1TSHRTDP1
SCHEMBL11206084 0.82 CYP3A4 (0.48) CYP3A4L3MBTL1ALDH1A1TSHRTDP1
SCHEMBL9557124 0.80 CYP3A4 (0.50) CYP3A4L3MBTL1ALDH1A1TSHRTDP1
SCHEMBL92139 0.79 CYP3A4 (0.59) CYP3A4L3MBTL1ALDH1A1TSHRTDP1
SCHEMBL1070374 0.78 CYP3A4 (0.65) CYP3A4L3MBTL1ALDH1A1TSHRTDP1
SCHEMBL9487037 0.77 CYP3A4 (0.44) CYP3A4L3MBTL1ALDH1A1TSHRTDP1
SCHEMBL14566042 0.77 CYP3A4 (0.62) CYP3A4L3MBTL1ALDH1A1TSHRTDP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0729388-A4 CATALYST COMPOSITION FOR COPOLYMERIZING ETHYLENE MOBIL OIL CORP (US) 1996-10-30 EP disclosed
EP-0729388-A1 CATALYST COMPOSITION FOR COPOLYMERIZING ETHYLENE MOBIL OIL CORPORATION (US) 1996-09-04 EP disclosed
WO-1995013873-A1 CATALYST COMPOSITION FOR COPOLYMERIZING ETHYLENE MOBIL OIL CORPORATION (US) 1995-05-26 WO disclosed