SCHEMBL1069090

SCHEMBL1069090

C[Si](C)(C)Oc1ccc(C#N)cc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.46
CYP2A6 P11509 2/20 0.46
CA2 P00918 2/20 0.44
CA9 Q16790 2/20 0.44
CA1 P00915 1/20 0.44
CYP19A1 P11511 1/20 0.43
MAOB P27338 2/20 0.42
MAPT P10636 3/20 0.42
CA12 O43570 1/20 0.41
CA3 P07451 1/20 0.41
CA6 P23280 1/20 0.41
CA14 Q9ULX7 1/20 0.41
HRH3 Q9Y5N1 2/20 0.41
RAB9A P51151 2/20 0.40
PARP15 Q460N3 1/20 0.40
PARP10 Q53GL7 1/20 0.40
PARP2 Q9UGN5 1/20 0.40
GSK3B P49841 1/20 0.40
MAOA P21397 1/20 0.40
KDM4E B2RXH2 1/20 0.39

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
4-Cyanophenol SCHEMBL11239056 0.90 CA2 (0.59) ALDH1A1CYP2A6CA2CA9CA1
SCHEMBL4763549 0.80 CA1 (0.39) ALDH1A1CA2CA9CA1CA12
SCHEMBL1067888 0.79 PREP (0.43) ALDH1A1CYP2A6CA2CA9CA1
SCHEMBL16215337 0.79 KIF11 (0.42) ALDH1A1CA2CA9CA1HRH3
SCHEMBL1069352 0.79 TTR (0.38) ALDH1A1CYP2A6MEN1KMT2A
SCHEMBL30203020 0.77 CA2 (0.46) ALDH1A1CYP2A6CA2CA9CA1
SCHEMBL1071167 0.75 SLC6A2 (0.43) NOTUM
Oxirane SCHEMBL7119447 0.74 MAOA (0.53) ALDH1A1CYP2A6CA2CA9CA1
SCHEMBL103904 0.73 MAOB (0.61) ALDH1A1CYP2A6CA2CA9CA1
1,4-Dimethoxybenzene SCHEMBL28617696 0.73 MAOB (0.61) ALDH1A1CYP2A6CA2CA9CA1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8946355-B2 Hydroxyaryl functionalized polymers BRIDGESTONE CORPORATION (JP) 2015-02-03 US disclosed
EP-2448984-B1 HYDROXYARYL FUNCTIONALIZED POLYMERS BRIDGESTONE CORP (JP) 2014-03-12 EP disclosed
US-20120136113-A1 HYDROXYARYL FUNCTIONALIZED POLYMERS BRIDGESTONE CORPORATION (JP) 2012-05-31 US disclosed
EP-2448984-A2 HYDROXYARYL FUNCTIONALIZED POLYMERS Bridgestone Corporation (JP) 2012-05-09 EP disclosed
WO-2011002930-A2 HYDROXYARYL FUNCTIONALIZED POLYMERS BRIDGESTONE CORPORATION (JP) 2011-01-06 WO disclosed