SCHEMBL9396161

SCHEMBL9396161

C=CC(=O)NCCC[Si](O[Si](C)(C)[Si](C)(C)C)(O[Si](C)(C)[Si](C)(C)C)O[Si](C)(C)[Si](C)(C)C

nearest known ligand 0.49

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
ZDHHC20 Q5W0Z9 1/20 0.49
ZDHHC2 Q9UIJ5 1/20 0.49
ALDH1A1 P00352 1/20 0.38
TSHR P16473 1/20 0.38
MAPK1 P28482 1/20 0.38
TDP1 Q9NUW8 1/20 0.38
TGM2 P21980 7/20 0.37
GAA P10253 1/20 0.37
KMT5A Q9NQR1 1/20 0.31
MAPT P10636 1/20 0.31
KMT2A Q03164 1/20 0.30
ATM Q13315 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
SCHEMBL9396182 0.95 ZDHHC20 (0.45) ZDHHC20ZDHHC2ALDH1A1TSHRMAPK1
SCHEMBL9396060 0.95 ZDHHC20 (0.45) ZDHHC20ZDHHC2ALDH1A1TSHRMAPK1
SCHEMBL307977 0.87 ZDHHC20 (0.51) ZDHHC20ZDHHC2ALDH1A1TSHRMAPK1
SCHEMBL515065 0.85 ZDHHC20 (0.50) ZDHHC20ZDHHC2ALDH1A1TSHRMAPK1
SCHEMBL851909 0.83 ZDHHC20 (0.51) ZDHHC20ZDHHC2ALDH1A1TSHRMAPK1
SCHEMBL851109 0.81 ZDHHC20 (0.54) ZDHHC20ZDHHC2ALDH1A1TSHRMAPK1
SCHEMBL31384454 0.81 ZDHHC20 (0.49) ZDHHC20ZDHHC2ALDH1A1TSHRMAPK1
SCHEMBL761985 0.80 ZDHHC20 (0.55) ZDHHC20ZDHHC2ALDH1A1TSHRMAPK1
SCHEMBL4349259 0.80 ZDHHC20 (0.55) ZDHHC20ZDHHC2ALDH1A1TSHRMAPK1
SCHEMBL9396624 0.77 KDM4E (0.31) MAPK1

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-0387706-B1 Oxygen permeable hard contact lens KURARAY CO (JP) 1994-10-26 EP disclosed
US-5162391-A Copolymer of Siloxanyalkylacrylamide of a Fluoro Monomer KURARAY CO., LTD. (JP) 1992-11-10 US disclosed
EP-0387706-A2 Oxygen permeable hard contact lens KURARAY CO., LTD. (JP) 1990-09-19 EP disclosed