SCHEMBL6229306

SCHEMBL6229306

c1cc(Cc2cccc(N(CC3CO3)CC3CO3)c2)cc(N(CC2CO2)CC2CO2)c1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.40
ALDH1A1 P00352 2/20 0.37
POLB P06746 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.37
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
MGLL Q99685 2/20 0.34
HDAC1 Q13547 1/20 0.33
HDAC6 Q9UBN7 1/20 0.33
TAAR1 Q96RJ0 1/20 0.32
CHRM2 P08172 1/20 0.32
CHRM5 P08912 1/20 0.32
CHRM3 P20309 1/20 0.32
MEN1 O00255 2/20 0.32
KMT2A Q03164 2/20 0.32
S1PR1 P21453 1/20 0.32
KDM4E B2RXH2 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
SCHEMBL19828100 0.98 LMNA (0.39) LMNAALDH1A1POLBL3MBTL1TP53
SCHEMBL19828094 0.97 MGLL (0.38) LMNAALDH1A1POLBL3MBTL1TP53
SCHEMBL21266571 0.94 MGLL (0.37) LMNAALDH1A1POLBL3MBTL1TP53
SCHEMBL6232658 0.94 MGLL (0.37) LMNAALDH1A1POLBL3MBTL1TP53
SCHEMBL17480430 0.87 LMNA (0.45) LMNAALDH1A1POLBL3MBTL1TP53
SCHEMBL156988 0.87 LMNA (0.45) LMNAALDH1A1POLBL3MBTL1TP53
SCHEMBL19828107 0.87 MGLL (0.38) LMNAALDH1A1POLBL3MBTL1TP53
Water SCHEMBL16652469 0.87 LMNA (0.38) LMNAALDH1A1POLBL3MBTL1TP53
SCHEMBL11006917 0.84 SPHK2 (0.37) LMNAALDH1A1POLBL3MBTL1TP53
SCHEMBL24006841 0.82 MAOB (0.38) LMNAMEN1KMT2AS1PR1

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-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
US-10400076-B2 Epoxy resin composition, prepreg, and carbon fiber-reinforced composite material TORAY INDUSTRIES, INC. (JP) 2019-09-03 US disclosed
EP-3020763-B1 EPOXY RESIN COMPOSITION, PREPREG, AND CARBON FIBER-REINFORCED COMPOSITE MATERIAL TORAY INDUSTRIES (JP) 2018-08-29 EP disclosed
US-20160152785-A1 EPOXY RESIN COMPOSITION, PREPREG, AND CARBON FIBER-REINFORCED COMPOSITE MATERIAL TORAY INDUSTRIES, INC. (JP) 2016-06-02 US disclosed
EP-3020763-A1 EPOXY RESIN COMPOSITION, PREPREG, AND CARBON FIBER-REINFORCED COMPOSITE MATERIAL Toray Industries, Inc. (JP) 2016-05-18 EP 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