SCHEMBL3519508

SCHEMBL3519508

CC=CC(=O)OCCC[Si](OCC)(OCC)c1ccccc1

nearest known ligand 0.38

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
MAPT P10636 4/20 0.38
ATM Q13315 1/20 0.37
HCAR2 Q8TDS4 4/20 0.37
AKR1B10 O60218 3/20 0.36
AKR1B1 P15121 3/20 0.36
ALOX5 P09917 1/20 0.35
APP P05067 2/20 0.34
NPC1 O15118 2/20 0.34
RAB9A P51151 2/20 0.34
LMNA P02545 2/20 0.34
MDM4 O15151 1/20 0.34
MDM2 Q00987 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
KDM4E B2RXH2 1/20 0.34
ALDH1A1 P00352 1/20 0.34

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
SCHEMBL3305044 0.96 HCAR2 (0.38) MAPTATMHCAR2AKR1B10AKR1B1
SCHEMBL9402866 0.92 MAPT (0.39) MAPTHCAR2AKR1B10AKR1B1ALOX5
SCHEMBL9402872 0.91 ATM (0.40) ATMHCAR2AKR1B10AKR1B1APP
SCHEMBL9402709 0.90 ATM (0.45) MAPTATMHCAR2APPNPC1
SCHEMBL3307221 0.88 HCAR2 (0.40) ATMHCAR2AKR1B10AKR1B1APP
SCHEMBL3517113 0.87 ALOX5 (0.39) ATMHCAR2AKR1B10AKR1B1ALOX5
SCHEMBL1067387 0.86 THRB (0.47) MAPTNPC1RAB9ALMNASMN1; SMN2
SCHEMBL27710245 0.85 HCAR2 (0.40) MAPTHCAR2AKR1B10AKR1B1ALOX5
SCHEMBL9402868 0.84 ATM (0.43) MAPTATMHCAR2APPNPC1
SCHEMBL3310444 0.83 KDM4E (0.39) ATMHCAR2AKR1B10AKR1B1ALOX5

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-2228362-B1 4-HYDROXYPHENYLALKYLAMINE DERIVATIVE DOW CORNING TORAY CO LTD (JP) 2017-06-07 EP disclosed
EP-2228362-A1 4-HYDROXYPHENYLALKYLAMINE DERIVATIVE Dow Corning Toray Co., Ltd. (JP) 2010-09-15 EP disclosed
US-5332779-A Polymerizable silica sol, adamantane derivative for use in the sol and cured resin prepared using the same KAWASAKI STEEL CORPORATION (JP) 1994-07-26 US disclosed
EP-0460560-A2 Polymerizable silica sol, adamantane derivative for use in the sol and cured resin prepared using the same KAWASAKI STEEL CORPORATION (JP) 1991-12-11 EP disclosed