SCHEMBL20649482

SCHEMBL20649482

O=C(CCN1CCC(C2CCN(CCC(=O)N(CCO)CCO)CC2)CC1)N(CCO)CCO

nearest known ligand 0.36

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
POLB P06746 2/20 0.36
HTT P42858 1/20 0.36
HTR2A P28223 4/20 0.36
HTR7 P34969 4/20 0.36
KCNH2 Q12809 4/20 0.36
DRD2 P14416 3/20 0.36
SMN1; SMN2 Q16637 1/20 0.34
ALDH1A1 P00352 3/20 0.34
MAPT P10636 1/20 0.32
OPRL1 P41146 1/20 0.32
GAA P10253 2/20 0.32
SIGMAR1 Q99720 1/20 0.32
L3MBTL1 Q9Y468 2/20 0.32
LMNA P02545 1/20 0.32
OPRM1 P35372 1/20 0.32
TP53 P04637 1/20 0.31

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
SCHEMBL20649485 0.87 ALDH1A1 (0.38) POLBHTR2AHTR7KCNH2DRD2
SCHEMBL20649480 0.84 OPRM1 (0.36) HTR2AHTR7KCNH2DRD2ALDH1A1
SCHEMBL29070245 0.79 GLA (0.53) SMN1; SMN2ALDH1A1MAPTLMNA
SCHEMBL21795200 0.73 ALDH1A1 (0.31) ALDH1A1
SCHEMBL25658569 0.73 CHRM2 (0.31) ALDH1A1
SCHEMBL1232870 0.70 ALDH1A1 (0.41) POLBSMN1; SMN2ALDH1A1MAPTGAA
SCHEMBL1387466 0.68 ALDH1A1 (0.39) POLBSMN1; SMN2ALDH1A1MAPTGAA
SCHEMBL20795837 0.67 EPHX1 (0.43) KCNH2SMN1; SMN2GAAOPRM1
SCHEMBL7538307 0.66 BCHE (0.47) SMN1; SMN2ALDH1A1SIGMAR1
SCHEMBL29407499 0.66 LMNA (0.52) POLBALDH1A1GAALMNA

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
WO-2023085390-A1 LIQUID CRYSTAL ALIGNMENT AGENT, LIQUID CRYSTAL ALIGNMENT FILM, AND LIQUID CRYSTAL DISPLAY ELEMENT 日産化学株式会社 2023-05-19 WO disclosed
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
WO-2020145175-A1 LIQUID CRYSTAL ALIGNMENT AGENT, LIQUID CRYSTAL ALIGNMENT FILM, AND LIQUID CRYSTAL DISPLAY ELEMENT 日産化学株式会社 2020-07-16 WO disclosed
WO-2020138259-A1 LIQUID CRYSTAL ALIGNING AGENT, LIQUID CRYSTAL ALIGNMENT FILM, LIQUID CRYSTAL DISPLAY ELEMENT, AND NOVEL MONOMER 日産化学株式会社 2020-07-02 WO disclosed
WO-2020045548-A1 METHOD FOR PRODUCING LIQUID CRYSTAL ALIGNMENT FILM, LIQUID CRYSTAL ALIGNMENT FILM, AND LIQUID CRYSTAL DISPLAY ELEMENT 日産化学株式会社 2020-03-05 WO 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