SCHEMBL20649361

SCHEMBL20649361

C=Cc1ccc(OCCCCc2cc(C)cc(C)c2)cc1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CHRNB2 P17787 1/20 0.48
CHRNB4 P30926 1/20 0.48
CHRNA3 P32297 1/20 0.48
CHRNA7 P36544 1/20 0.48
CHRNA4 P43681 1/20 0.48
AHR P35869 1/20 0.40
KCNH2 Q12809 1/20 0.39
HPGD P15428 3/20 0.39
ALDH1A1 P00352 2/20 0.39
LMNA P02545 2/20 0.39
MAPT P10636 2/20 0.39
HTT P42858 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
APP P05067 6/20 0.38
PTGS1 P23219 1/20 0.38
PTGS2 P35354 1/20 0.38
MAOA P21397 1/20 0.38
MAOB P27338 1/20 0.38
PPARA Q07869 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
SCHEMBL3562546 0.83 CHRNB2 (0.49) CHRNB2CHRNB4CHRNA3CHRNA7CHRNA4
SCHEMBL12114958 0.80 CHRNB2 (0.56) CHRNB2CHRNB4CHRNA3CHRNA7CHRNA4
SCHEMBL1260922 0.80 CHRNA7 (0.61) CHRNB2CHRNB4CHRNA3CHRNA7CHRNA4
SCHEMBL3565097 0.80 FFAR1 (0.56) CHRNB2CHRNB4CHRNA3CHRNA7CHRNA4
SCHEMBL20252729 0.79 ALDH1A1 (0.56) CHRNB2CHRNB4CHRNA3CHRNA7CHRNA4
SCHEMBL1140632 0.78 CHRNB2 (0.59) CHRNB2CHRNB4CHRNA3CHRNA7CHRNA4
SCHEMBL8754087 0.78 CHRNB2 (0.59) CHRNB2CHRNB4CHRNA3CHRNA7CHRNA4
SCHEMBL23610337 0.77 CHRNA7 (0.45) CHRNB2CHRNB4CHRNA3CHRNA7CHRNA4
SCHEMBL7629716 0.77 CHRNB2 (0.45) CHRNB2CHRNB4CHRNA3CHRNA7CHRNA4
SCHEMBL9943360 0.76 CHRNA7 (0.61) CHRNB2CHRNB4CHRNA3CHRNA7CHRNA4

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-11028323-B2 Liquid crystal aligning agent containing crosslinking agent and polymer that has site having isocyanate group and/or blocked isocyanate group and site having photoreactivity, liquid crystal alignment film, and liquid crystal display element NISSAN CHEMICAL INDUSTRIES, LTD. (JP) 2021-06-08 US disclosed
US-10921650-B2 Liquid crystal aligning agent, liquid crystal alignment film and liquid crystal display element NISSAN CHEMICAL INDUSTRIES, LTD. (JP) 2021-02-16 US disclosed
US-20190023987-A1 LIQUID CRYSTAL ALIGNING AGENT CONTAINING CROSSLINKING AGENT AND POLYMER THAT HAS SITE HAVING ISOCYANATE GROUP AND/OR BLOCKED ISOCYANATE GROUP AND SITE HAVING PHOTOREACTIVITY, LIQUID CRYSTAL ALIGNMENT FILM, AND LIQUID CRYSTAL DISPLAY ELEMENT NISSAN CHEMICAL INDUSTRIES, LTD. (JP) 2019-01-24 US disclosed
US-20190018289-A1 LIQUID CRYSTAL ALIGNING AGENT, LIQUID CRYSTAL ALIGNMENT FILM AND LIQUID CRYSTAL DISPLAY ELEMENT NISSAN CHEMICAL INDUSTRIES, LTD. (JP) 2019-01-17 US disclosed