SCHEMBL6557175

SCHEMBL6557175

COc1cc(CCC[Si](OC)(OC)OC)ccc1O[Si](C)(C)C

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ATM Q13315 2/20 0.46
KDM4E B2RXH2 1/20 0.46
POLB P06746 1/20 0.44
CYP19A1 P11511 1/20 0.44
CYP1A2 P05177 1/20 0.44
CYP3A4 P08684 1/20 0.44
CYP2D6 P10635 1/20 0.44
CA2 P00918 1/20 0.43
MAPT P10636 1/20 0.43
BLM P54132 1/20 0.43
PMP22 Q01453 1/20 0.43
TUBB4A P04350 1/20 0.42
TUBB P07437 1/20 0.42
TUBA3C P0DPH7 1/20 0.42
TUBA1B P68363 1/20 0.42
TUBA4A P68366 1/20 0.42
TUBB4B P68371 1/20 0.42
TUBB3 Q13509 1/20 0.42
TUBB2A Q13885 1/20 0.42
TUBB8 Q3ZCM7 1/20 0.42

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
SCHEMBL32679864 0.89 ATM (0.58) ATMKDM4EPOLBCYP19A1CYP1A2
SCHEMBL19229231 0.80 ATM (0.54) ATMKDM4EPOLBCYP19A1CYP1A2
SCHEMBL7915028 0.79 ATM (0.44) ATMKDM4EPOLBCYP19A1CYP1A2
SCHEMBL13027477 0.79 ATM (0.61) ATMKDM4EPOLBCYP19A1CYP1A2
SCHEMBL4603040 0.78 PTGS1 (0.57) CA2
SCHEMBL29939055 0.78 PTGS1 (0.57) CA2
SCHEMBL6555319 0.78 TAAR1 (0.63) CYP3A4TUBB4ATUBBTUBA3CTUBA1B
SCHEMBL12271110 0.78 ATM (0.56) ATMKDM4EPOLBCYP19A1CYP1A2
SCHEMBL27419937 0.77 ATM (0.51) ATMKDM4EPOLBCYP19A1CYP1A2
SCHEMBL2578018 0.77 ATM (0.51) ATMKDM4EPOLBCYP19A1CYP1A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1214327-B1 BLOCKED PHENYLALKYL SILANES CROMPTON CORP (US) 2004-02-25 EP disclosed
US-6559329-B2 Deblocking of a trialkoxysilane compound acontaining carbonate or acetooxy group is done by hydrolysis or alcoholyis CROMPTON CORPORATION 2003-05-06 US disclosed
US-6413646-B1 Blocked phenolic silanes CROMPTON CORPORATION 2002-07-02 US disclosed
EP-1214327-A1 BLOCKED PHENOLIC SILANES Crompton Corporation (US) 2002-06-19 EP disclosed
US-20020051890-A1 Blocked phenolic silanes WITCO CORPORATION 2002-05-02 US disclosed
WO-2001009145-A1 BLOCKED PHENOLIC SILANES CROMPTON CORPORATION (US) 2001-02-08 WO disclosed