SCHEMBL716385

SCHEMBL716385

Cc1ccc(C#Cc2ccc(C#C[Si](C)(C)C)cc2)cc1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GRM5 P41594 4/20 0.54
CA12 O43570 3/20 0.45
CA2 P00918 3/20 0.45
CA9 Q16790 3/20 0.45
CA1 P00915 2/20 0.45
KCNH2 Q12809 2/20 0.45
ALDH1A1 P00352 3/20 0.42
CYP2A6 P11509 1/20 0.42
FFAR1 O14842 2/20 0.40
ACHE P22303 1/20 0.38
TDP1 Q9NUW8 1/20 0.38
MEN1 O00255 3/20 0.36
KMT2A Q03164 3/20 0.36
POLB P06746 1/20 0.36
MAPT P10636 1/20 0.36
NPC1 O15118 2/20 0.35
SMN1; SMN2 Q16637 2/20 0.35
KDM4E B2RXH2 1/20 0.35
TP53 P04637 1/20 0.35
CYP1A2 P05177 1/20 0.35

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
SCHEMBL440124 0.98 GRM5 (0.50) GRM5CA12CA2CA9CA1
SCHEMBL1306505 0.90 APP (0.41) GRM5ALDH1A1MEN1KMT2AMAPT
SCHEMBL1306384 0.87 GABRA1 (0.38) GRM5ALDH1A1MEN1KMT2AMAPT
SCHEMBL27134344 0.82 GRM5 (0.39) GRM5CA12CA2CA9CA1
SCHEMBL27134342 0.82 CYP19A1 (0.49) GRM5CA12CA2CA9CA1
SCHEMBL20717546 0.82 GRM5 (0.45) GRM5CA12CA2CA9CA1
SCHEMBL12223988 0.82 GRM5 (0.36) GRM5CA12CA2CA9CA1
SCHEMBL4457730 0.82 GRM5 (0.64) GRM5CA12CA2CA9CA1
SCHEMBL9445826 0.82 GRM5 (0.64) GRM5CA12CA2CA9CA1
SCHEMBL712499 0.81 APP (0.57) GRM5CA12CA2CA9CA1

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
US-8703388-B2 Optical data storage media GENERAL ELECTRIC COMPANY (US) 2014-04-22 US disclosed
EP-2290408-B1 Compositions, optical data storage media and methods for using the optical data storage media GEN ELECTRIC (US) 2012-08-15 EP disclosed
US-20120163145-A1 OPTICAL DATA STORAGE MEDIA GENERAL ELECTRIC COMPANY (US) 2012-06-28 US disclosed
US-8124299-B2 Methods for using optical data storage media GENERAL ELECTRIC COMPANY (US) 2012-02-28 US disclosed
US-20110053054-A1 COMPOSITIONS, OPTICAL DATA STORAGE MEDIA AND METHODS FOR USING THE OPTICAL DATA STORAGE MEDIA GENERAL ELECTRIC COMPANY (US) 2011-03-03 US disclosed
EP-2290408-A1 Compositions, optical data storage media and methods for using the optical data storage media General Electric Company (US) 2011-03-02 EP disclosed