SCHEMBL6231006

SCHEMBL6231006

c1cc(N(CC2CO2)CC2CO2)c2cccc(N(CC3CO3)CC3CO3)c2c1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.47
LMNA P02545 2/20 0.37
ALDH1A1 P00352 3/20 0.36
TP53 P04637 1/20 0.36
CYP3A4 P08684 1/20 0.36
TSHR P16473 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
HIF1A Q16665 1/20 0.36
DHFR P00374 1/20 0.36
TDP1 Q9NUW8 1/20 0.33
USP2 O75604 1/20 0.33
CRHR1 P34998 2/20 0.32
SLC6A4 P31645 2/20 0.32
MEN1 O00255 1/20 0.32
KMT2A Q03164 1/20 0.32
GAA P10253 1/20 0.31
POLB P06746 1/20 0.31
L3MBTL1 Q9Y468 1/20 0.31
GLA P06280 1/20 0.31
SLC6A2 P23975 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
SCHEMBL7047374 0.89 KDM4E (0.59) KDM4ELMNAALDH1A1DHFRSLC6A4
SCHEMBL6230504 0.85 LMNA (0.43) KDM4ELMNAALDH1A1TP53CYP3A4
SCHEMBL30015922 0.85 LMNA (0.43) KDM4ELMNAALDH1A1TP53CYP3A4
SCHEMBL1644776 0.79 ALDH1A1 (0.39) KDM4ELMNAALDH1A1TP53CYP3A4
SCHEMBL29371124 0.78 ALDH1A1 (0.44) KDM4ELMNAALDH1A1TSHRTDP1
SCHEMBL93642 0.78 ALDH1A1 (0.44) KDM4ELMNAALDH1A1TSHRTDP1
SCHEMBL819589 0.78 ALDH1A1 (0.38) KDM4ELMNAALDH1A1TP53CYP3A4
SCHEMBL29699500 0.78 ALDH1A1 (0.38) KDM4ELMNAALDH1A1TP53CYP3A4
SCHEMBL625141 0.77 KDM4E (0.38) KDM4ELMNAALDH1A1TP53CYP3A4
SCHEMBL352652 0.77 KDM4E (0.38) KDM4ELMNAALDH1A1TP53CYP3A4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
JP-62077376-A None JP disclosed
WO-2023136269-A1 LIQUID CRYSTAL ALIGNMENT AGENT, LIQUID CRYSTAL ALIGNMENT FILM, AND LIQUID CRYSTAL DISPLAY ELEMENT 日産化学株式会社 2023-07-20 WO disclosed
CN-110546560-B Liquid crystal aligning agent, liquid crystal alignment film, and liquid crystal display element 日产化学株式会社 2022-08-19 CN disclosed
EP-0840161-B1 LIQUID CRYSTAL ALIGNING AGENT JSR CORP (JP) 2005-04-06 EP disclosed
US-5969055-A MIXTURES OF POLYAMIC ACIDS AND IMIDIZED POLYMERS FROM THE DEHYDRATION AND RING CLOSURE OF POLYAMIC ACID, THE POLYMERS HAVING HIGHER IMIDIZATION DEGREE ALSO HAVE SMALLER SURFACE FREE ENERGY, FILMS, HIGH PRETILT ANGLE, LOW IMAGE RETENTION JSR CORPORATION (JP) 1999-10-19 US disclosed
EP-0840161-A1 LIQUID CRYSTAL ALIGNING AGENT JSR Corporation (JP) 1998-05-06 EP disclosed
JP-S6277376-A NOVEL GLYCIDYL COMPOUND AND PRODUCTION THEREOF KANEGAFUCHI CHEM IND CO LTD 1987-04-09 JP disclosed