SCHEMBL5571073

SCHEMBL5571073

O=Cc1ccc2c(c1)Oc1ccccc1OCCOCCOCCOCCOCCOCCO2

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 4/20 0.53
LMNA P02545 3/20 0.53
CRHBP P24387 2/20 0.53
CRHR2 Q13324 2/20 0.53
HTT P42858 2/20 0.53
ALDH1A1 P00352 2/20 0.53
HSD17B10 Q99714 1/20 0.53
TDP1 Q9NUW8 1/20 0.53
KDM4E B2RXH2 4/20 0.47
GAA P10253 2/20 0.45
ITGB2 P05107 1/20 0.44
ICAM1 P05362 1/20 0.44
ITGAL P20701 1/20 0.44
MAPT P10636 4/20 0.43
NPC1 O15118 1/20 0.43
RAB9A P51151 1/20 0.43
NPSR1 Q6W5P4 1/20 0.43
DYRK1A Q13627 1/20 0.43
DYRK2 Q92630 1/20 0.43
DYRK1B Q9Y463 1/20 0.43

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
SCHEMBL14787821 0.87 ALDH1A1 (0.69) SMN1; SMN2LMNACRHBPCRHR2HTT
SCHEMBL30523585 0.87 ALDH1A1 (0.69) SMN1; SMN2LMNACRHBPCRHR2HTT
SCHEMBL1247490 0.87 ALDH1A1 (0.69) SMN1; SMN2LMNACRHBPCRHR2HTT
SCHEMBL14777332 0.87 ALDH1A1 (0.69) SMN1; SMN2LMNACRHBPCRHR2HTT
SCHEMBL16784222 0.87 ALDH1A1 (0.69) SMN1; SMN2LMNACRHBPCRHR2HTT
SCHEMBL16784221 0.87 ALDH1A1 (0.69) SMN1; SMN2LMNACRHBPCRHR2HTT
SCHEMBL14777264 0.87 ALDH1A1 (0.69) SMN1; SMN2LMNACRHBPCRHR2HTT
SCHEMBL6489263 0.85 ALDH1A1 (0.53) ALDH1A1HSD17B10TDP1KDM4ENPC1
SCHEMBL6385570 0.82 ALDH1A1 (0.59) SMN1; SMN2LMNACRHBPCRHR2HTT
SCHEMBL16784219 0.82 ALDH1A1 (0.62) SMN1; SMN2LMNACRHBPCRHR2HTT

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
US-20070117964-A1 Noncovalent functionalization of nanotubes THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2007-05-24 US disclosed
US-7220818-B2 Noncovalent functionalization of nanotubes THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2007-05-22 US disclosed
US-20050043503-A1 With poly{(5-alkoxy-m-phenylenevinylene)-co-[(2,5-dioctyloxy-p-phenylene)vinylene]} or other derivatives; high strength, increased solubility, electroconductivity with maintained photoluminescence and electroluminescence THE REGENTS OF THE UNIVERSITY OF CALIFORNIA 2005-02-24 US disclosed