SCHEMBL1069272

SCHEMBL1069272

CC(C)(C)[Si](C)(C)Oc1ccc(C#N)cc1O[Si](C)(C)C(C)(C)C

nearest known ligand 0.40

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
AR P10275 4/20 0.40
TRPV4 Q9HBA0 1/20 0.38
ALPL P05186 1/20 0.36
KIF11 P52732 1/20 0.34
DRD2 P14416 1/20 0.34
NCEH1 Q6PIU2 1/20 0.33
TBXA2R P21731 1/20 0.33
ICMT O60725 1/20 0.33
CYP19A1 P11511 1/20 0.33
CSNK1D P48730 1/20 0.33
CSNK1G2 P78368 1/20 0.33
CA12 O43570 2/20 0.33
CA1 P00915 2/20 0.33
CA9 Q16790 2/20 0.33
CYP2A6 P11509 2/20 0.33
ALDH1A1 P00352 1/20 0.32

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
SCHEMBL1779200 0.92 AR (0.47) ARALPLDRD2ICMT
SCHEMBL9798963 0.83 DRD2 (0.34) DRD2CA12CA1CA9
SCHEMBL1070648 0.82 AR (0.44) ARTRPV4ICMTCYP19A1CYP2A6
SCHEMBL9801074 0.81 DRD2 (0.33) DRD2CA12CA1CA9
Bromide SCHEMBL9800983 0.80 DRD2 (0.33) DRD2CA12CA1CA9
SCHEMBL25385957 0.78 CYP11B2 (0.35) ARTRPV4ALDH1A1
SCHEMBL30574837 0.78 CYP11B2 (0.35) ARTRPV4ALDH1A1
SCHEMBL1067888 0.77 PREP (0.43) KIF11CYP19A1CA12CA1CA9
SCHEMBL8667470 0.76 DRD2 (0.37) ARDRD2CA12CA1CA9
SCHEMBL23042779 0.76 DRD2 (0.42) ARDRD2CA12CA1CA9

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