SCHEMBL13686124

SCHEMBL13686124

C#CC#CC#CC#CC#CC#COc1cc(/C=C/c2ccc(N(c3ccccc3)c3cccc(C)c3)cc2)c(OCCCCCCCCCCCC)cc1/C=C/c1ccc(N(c2ccccc2)c2cccc(C)c2)cc1

nearest known ligand 0.30

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.30
GAA P10253 1/20 0.30
MAPT P10636 1/20 0.30
THRB P10828 1/20 0.30
NPSR1 Q6W5P4 1/20 0.30

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
SCHEMBL18159312 0.84 ALDH1A1 (0.35) ALDH1A1GAAMAPTTHRBNPSR1
SCHEMBL7717396 0.75 CHRNA7 (0.38)
SCHEMBL9909809 0.75 TRPA1 (0.40)
SCHEMBL9909806 0.73 AHR (0.49) ALDH1A1MAPT
SCHEMBL13805762 0.72 NFE2L2 (0.40)
SCHEMBL13309559 0.72 CHRNA7 (0.48) ALDH1A1MAPT
SCHEMBL8927870 0.72 ESR1 (0.32) ALDH1A1THRB
SCHEMBL4415826 0.72 CYP1A1 (0.46) MAPT
SCHEMBL9915628 0.72 CYP1A1 (0.46) MAPT
SCHEMBL13410112 0.70 ALDH1A1 (0.44) ALDH1A1GAAMAPTTHRBNPSR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7582685-B2 a curable mixture of polysilazanes, sulfur compounds, vinyl silanes, vinyl esters or (meth)acrylates, and photosensitizers, used to provide heat reistant ceramic-based microstructures, such as combustion chambers, heat exchangers, detectors and actuators, microfluidics and optics 3M INNOVATIVE PROPERTIES COMPANY (US) 2009-09-01 US disclosed
US-20080194721-A1 Multi-Photon Polymerizable Pre-Ceramic Polymeric Compositions 3M INNOVATIVE PROPERTIES COMPANY 2008-08-14 US disclosed
US-7297374-B1 Single- and multi-photon polymerizable pre-ceramic polymeric compositions 3M INNOVATIVE PROPERTIES COMPANY (US) 2007-11-20 US disclosed
US-20070254975-A1 SINGLE- AND MULTI-PHOTON POLYMERIZABLE PRE-CERAMIC POLYMERIC COMPOSITIONS 3M INNOVATIVE PROPERTIES COMPANY 2007-11-01 US disclosed