SCHEMBL700045

SCHEMBL700045

Clc1ccc(/C=C/c2cccc(Cl)c2)cc1

nearest known ligand 0.67

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
RELA Q04206 1/20 0.67
AHR P35869 1/20 0.64
CHAT P28329 1/20 0.63
CYP1A2 P05177 1/20 0.57
CYP2C9 P11712 1/20 0.57
CHRM5 P08912 1/20 0.54
FBP1 P09467 1/20 0.53
MAOB P27338 3/20 0.53
MAOA P21397 1/20 0.53
AKR1C3 P42330 1/20 0.49
KCNA3 P22001 1/20 0.48
ALOX5 P09917 1/20 0.47
PTGS1 P23219 1/20 0.47
PTGS2 P35354 1/20 0.47
NFE2L2 Q16236 1/20 0.47

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
SCHEMBL700046 1.00 RELA (0.67) RELAAHRCHATCYP1A2CYP2C9
SCHEMBL30081496 1.00 RELA (0.67) RELAAHRCHATCYP1A2CYP2C9
SCHEMBL28626001 1.00 RELA (0.67) RELAAHRCHATCYP1A2CYP2C9
SCHEMBL699364 0.91 CHAT (0.67) RELAAHRCHATCYP1A2CYP2C9
SCHEMBL699365 0.91 CHAT (0.67) RELAAHRCHATCYP1A2CYP2C9
SCHEMBL699874 0.88 CHAT (0.66) RELACHATCYP1A2CYP2C9CHRM5
SCHEMBL29446280 0.88 CHAT (0.66) RELACHATCYP1A2CYP2C9CHRM5
SCHEMBL699875 0.88 CHAT (0.66) RELACHATCYP1A2CYP2C9CHRM5
SCHEMBL17083051 0.85 RELA (0.66) RELAAHRCHATCYP1A2CYP2C9
SCHEMBL9483737 0.85 APP (0.61) RELACHATCYP1A2CYP2C9MAOB

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 16 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
US-8507153-B2 Compositions, optical data storage media and methods for using the optical data storage media GENERAL ELECTRIC COMPANY (US) 2013-08-13 US disclosed
EP-2423917-B1 Use of chemically bonded dyes in holographic data storage media GEN ELECTRIC (US) 2013-08-07 EP disclosed
US-8343608-B2 Use of appended dyes in optical data storage media GENERAL ELECTRIC COMPANY (US) 2013-01-01 US disclosed
EP-2290651-B1 Compositions, optical data storage media and methods for using the optical data storage media GEN ELECTRIC (US) 2012-10-10 EP 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
CN-102498404-A Methods for determining the oncogenic condition of cell, uses thereof, and methods for treating cancer INST NAT SANTE RECH MED 2012-06-13 CN disclosed
US-20120052232-A1 USE OF APPENDED DYES IN OPTICAL DATA STORAGE MEDIA GENERAL ELECTRIC COMPANY (US) 2012-03-01 US disclosed
EP-2423917-A2 Use of chemically bonded dyes in holographic data storage media General Electric Company (US) 2012-02-29 EP 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
US-20110053055-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
EP-2290651-A1 Compositions, optical data storage media and methods for using the optical data storage media General Electric Company (US) 2011-03-02 EP disclosed
US-20100302927-A1 OPTICAL DATA STORAGE MEDIUM AND METHODS FOR USING THE SAME GENERAL ELECTRIC COMPANY (US) 2010-12-02 US disclosed