SCHEMBL710659

SCHEMBL710659

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

nearest known ligand 0.50

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.50
TSHR P16473 3/20 0.50
ALOX15 P16050 2/20 0.50
HSD17B10 Q99714 1/20 0.50
APP P05067 6/20 0.45
ADK P55263 3/20 0.42
SNCA P37840 6/20 0.41
MAPT P10636 5/20 0.41
ACACB O00763 1/20 0.41
CYP3A4 P08684 2/20 0.41
MAPK1 P28482 2/20 0.41
TDP1 Q9NUW8 2/20 0.41
TP53 P04637 1/20 0.41

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
SCHEMBL186079 0.93 ALDH1A1 (0.58) ALDH1A1TSHRALOX15HSD17B10APP
SCHEMBL770159 0.88 ALDH1A1 (0.65) ALDH1A1TSHRALOX15HSD17B10APP
SCHEMBL10300053 0.88 ALDH1A1 (0.65) ALDH1A1TSHRALOX15HSD17B10APP
SCHEMBL21115255 0.86 ALDH1A1 (0.50) ALDH1A1TSHRALOX15HSD17B10APP
SCHEMBL20005115 0.81 ALDH1A1 (0.44) ALDH1A1TSHRALOX15HSD17B10APP
SCHEMBL1306534 0.80 HDAC8 (0.50) APPMAPT
SCHEMBL2555531 0.79 APP (0.57) ALDH1A1TSHRALOX15HSD17B10APP
SCHEMBL17104804 0.77 APP (0.64) ALDH1A1TSHRALOX15HSD17B10APP
SCHEMBL21614158 0.76 CA12 (0.45) ALDH1A1TSHRALOX15HSD17B10CYP3A4
SCHEMBL8028758 0.76 ALDH1A1 (0.55) ALDH1A1TSHRALOX15HSD17B10APP

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