SCHEMBL9576325

SCHEMBL9576325

CC(CCOC(=O)/C=C/C(=O)OCCC(C)[Si](C)(C)C)[Si](C)(C)C

nearest known ligand 0.45

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ATM Q13315 1/20 0.45
HCAR2 Q8TDS4 7/20 0.42
LMNA P02545 1/20 0.40
TDP1 Q9NUW8 1/20 0.40
CHRNB2 P17787 6/20 0.36
CHRNA4 P43681 6/20 0.36
CHRNB4 P30926 4/20 0.36
CHRNA3 P32297 4/20 0.36
MAPT P10636 1/20 0.35
RAB9A P51151 1/20 0.35
NPSR1 Q6W5P4 1/20 0.35
ALOX15 P16050 1/20 0.33
ALDH1A1 P00352 1/20 0.32

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
SCHEMBL9576341 0.93 HCAR2 (0.55) ATMHCAR2LMNATDP1CHRNB2
SCHEMBL9576297 0.81 ATM (0.42) ATMHCAR2LMNATDP1CHRNB2
SCHEMBL9304205 0.79 LMNA (0.35) ATMHCAR2LMNATDP1CHRNB2
SCHEMBL9302287 0.79 LMNA (0.35) ATMHCAR2LMNATDP1CHRNB2
SCHEMBL9303085 0.79 LMNA (0.35) ATMHCAR2LMNATDP1CHRNB2
SCHEMBL2475190 0.79 TDP1 (0.56) ATMHCAR2LMNATDP1CHRNB2
SCHEMBL2478667 0.79 TDP1 (0.56) ATMHCAR2LMNATDP1CHRNB2
SCHEMBL2475186 0.79 TDP1 (0.56) ATMHCAR2LMNATDP1CHRNB2
SCHEMBL9576212 0.78 HCAR2 (0.50) ATMHCAR2LMNATDP1CHRNB2
SCHEMBL9576228 0.77 ATM (0.47) ATMHCAR2LMNATDP1CHRNB2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0219884-B1 HARD CONTACT LENS MATERIAL Tomei Sangyo Kabushiki Kaisha (JP) 1993-09-29 EP disclosed
US-5142009-A Crosslinked blend of fumaric acid diesters TOMEI SANGYO KABUSHIKI KAISHA (JP) 1992-08-25 US disclosed
US-4868260-A OXYGEN PERMEABILITY TOMEI SANGYO KABUSHIKI KAISHA (JP) 1989-09-19 US disclosed
EP-0219884-A2 Hard contact lens material Tomei Sangyo Kabushiki Kaisha (JP) 1987-04-29 EP disclosed