SCHEMBL6232658

SCHEMBL6232658

c1cc(Cc2ccc(N(CC3CO3)CC3CO3)cc2)cc(N(CC2CO2)CC2CO2)c1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MGLL Q99685 2/20 0.37
LMNA P02545 2/20 0.36
HDAC1 Q13547 1/20 0.36
HDAC6 Q9UBN7 1/20 0.36
CHRM2 P08172 1/20 0.35
CHRM5 P08912 1/20 0.35
CHRM3 P20309 1/20 0.35
ALDH1A1 P00352 3/20 0.34
POLB P06746 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.34
CYP3A4 P08684 2/20 0.33
TSHR P16473 2/20 0.33
TP53 P04637 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
HIF1A Q16665 1/20 0.33
MEN1 O00255 1/20 0.32
KMT2A Q03164 1/20 0.32
S1PR1 P21453 1/20 0.32
MAPK1 P28482 1/20 0.32
TDP1 Q9NUW8 1/20 0.32

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
SCHEMBL21266571 1.00 MGLL (0.37) MGLLLMNAHDAC1HDAC6CHRM2
SCHEMBL19828094 0.97 MGLL (0.38) MGLLLMNAHDAC1HDAC6CHRM2
SCHEMBL19828107 0.94 MGLL (0.38) MGLLLMNAHDAC1HDAC6CHRM2
SCHEMBL6229306 0.94 LMNA (0.40) MGLLLMNAHDAC1HDAC6CHRM2
SCHEMBL19828100 0.92 LMNA (0.39) MGLLLMNAHDAC1HDAC6CHRM2
SCHEMBL19828106 0.87 ALDH1A1 (0.40) MGLLLMNACHRM2CHRM5CHRM3
SCHEMBL15195722 0.87 ALDH1A1 (0.40) MGLLLMNACHRM2CHRM5CHRM3
SCHEMBL142324 0.87 ALDH1A1 (0.40) MGLLLMNACHRM2CHRM5CHRM3
SCHEMBL15856896 0.87 ALDH1A1 (0.40) MGLLLMNACHRM2CHRM5CHRM3
Hydrochloric Acid SCHEMBL31254397 0.84 ALDH1A1 (0.38) MGLLLMNACHRM2CHRM5CHRM3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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