SCHEMBL98656

SCHEMBL98656

C=Cc1ccc(N(CCO[Si](C)(C)C(C)(C)C)CCO[Si](C)(C)C(C)(C)C)cc1

nearest known ligand 0.34

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.34
KDM4E B2RXH2 2/20 0.34
GAA P10253 1/20 0.34
DUT P33316 2/20 0.32
CHRNB2 P17787 1/20 0.31
CHRNB4 P30926 1/20 0.31
CHRNA3 P32297 1/20 0.31
CHRNA7 P36544 1/20 0.31
CHRNA4 P43681 1/20 0.31
ALDH3A1 P30838 1/20 0.31
ALDH1A3 P47895 1/20 0.31
NPC1 O15118 1/20 0.31
MAPT P10636 1/20 0.31
RAB9A P51151 1/20 0.31
BACE1 P56817 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
SCHEMBL98971 0.87 DUT (0.34) ALDH1A1KDM4EDUTCHRNB2CHRNB4
SCHEMBL1234774 0.85 ALDH1A1 (0.49) ALDH1A1KDM4EGAADUTALDH3A1
SCHEMBL13302934 0.80 DUT (0.34) DUT
SCHEMBL4652904 0.80 BACE1 (0.36) ALDH1A1KDM4EGAADUTBACE1
SCHEMBL7717528 0.80 DUT (0.37) ALDH1A1KDM4EDUT
SCHEMBL4465723 0.80 ALDH1A1 (0.43) ALDH1A1DUT
SCHEMBL9497451 0.80 ALDH1A1 (0.54) ALDH1A1KDM4EGAADUTALDH3A1
SCHEMBL3342299 0.80 MEN1 (0.39) DUT
SCHEMBL6933156 0.79 DUT (0.33) DUT
SCHEMBL9348333 0.77 ALDH1A1 (0.35) ALDH1A1DUTCHRNB2CHRNB4CHRNA3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9260540-B1 Method of making a functionalized polymer with sulfide linkage BRIDGESTONE CORPORATION (JP) 2016-02-16 US disclosed
US-9260540-B1 Method of making a functionalized polymer with sulfide linkage BRIDGESTONE CORPORATION (JP) 2016-02-16 US disclosed
US-9221923-B2 Coupled polymers and methods for making same BRIDGESTONE CORPORATION (JP) 2015-12-29 US disclosed
US-9221923-B2 Coupled polymers and methods for making same BRIDGESTONE CORPORATION (JP) 2015-12-29 US disclosed
US-8637600-B2 Processing of rubber compositions including siliceous fillers BRIDGESTONE CORPORATION (JP) 2014-01-28 US disclosed
US-8586691-B2 Method of making a blocked polymer with a siloxane linking group BRIDGESTONE CORPORATION (JP) 2013-11-19 US disclosed
US-20130274408-A1 Coupled Polymers And Methods For Making Same BRIDGESTONE CORPORATION (JP) 2013-10-17 US disclosed
US-20130274408-A1 Coupled Polymers And Methods For Making Same BRIDGESTONE CORPORATION (JP) 2013-10-17 US disclosed
US-20130035443-A1 METHOD OF MAKING A BLOCKED POLYMER WITH A SILOXANE LINKING GROUP BRIDGESTONE CORPORATION (JP) 2013-02-07 US disclosed
US-20120059113-A1 PROCESSING OF RUBBER COMPOSITIONS INCLUDING SILICEOUS FILLERS BRIDGESTONE CORPORATION (JP) 2012-03-08 US disclosed