SCHEMBL712015

SCHEMBL712015

C#Cc1ccc(C#Cc2ccc(C)cc2)cc1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GRM5 P41594 2/20 0.52
CA12 O43570 4/20 0.48
CA2 P00918 4/20 0.48
CA9 Q16790 4/20 0.48
CA1 P00915 3/20 0.48
KCNH2 Q12809 2/20 0.48
ALDH1A1 P00352 2/20 0.46
CYP2A6 P11509 1/20 0.46
HTT P42858 1/20 0.46
L3MBTL1 Q9Y468 1/20 0.46
FFAR1 O14842 2/20 0.42
HDAC8 Q9BY41 2/20 0.42
ACHE P22303 1/20 0.42
TDP1 Q9NUW8 1/20 0.42
LMNA P02545 1/20 0.40
MEN1 O00255 1/20 0.38
POLB P06746 1/20 0.38
MAPT P10636 1/20 0.38
KMT2A Q03164 1/20 0.38
CA4 P22748 1/20 0.38

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
SCHEMBL121302 0.92
SCHEMBL28344843 0.89 ALDH1A1 (0.50) GRM5CA12CA2CA9CA1
Bromide SCHEMBL28139811 0.89 ALDH1A1 (0.50) GRM5CA12CA2CA9CA1
Hydrochloric Acid SCHEMBL28998656 0.89 ALDH1A1 (0.50) GRM5CA12CA2CA9CA1
SCHEMBL27596658 0.89 ALDH1A1 (0.50) GRM5CA12CA2CA9CA1
SCHEMBL28074280 0.89 ALDH1A1 (0.50) GRM5CA12CA2CA9CA1
Bromide SCHEMBL28475302 0.86 ALDH1A1 (0.48) GRM5CA12CA2CA9CA1
SCHEMBL9445826 0.86 GRM5 (0.64) GRM5CA12CA2CA9CA1
SCHEMBL4457730 0.86 GRM5 (0.64) GRM5CA12CA2CA9CA1
SCHEMBL1306534 0.86 HDAC8 (0.50) CA12CA2CA9CA1FFAR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-102881296-B Optical data carrier records method and the optical data carrier of data 通用电气公司 2016-07-06 CN claimed
CN-102881296-B Optical data carrier records method and the optical data carrier of data 通用电气公司 2016-07-06 CN disclosed
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