SCHEMBL8124223

SCHEMBL8124223

N=C(Oc1ccccc1)[C@H](O)[C@H](O)[C@H](O)CO

nearest known ligand 0.34

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
LMNA P02545 3/20 0.34
L3MBTL1 Q9Y468 3/20 0.33
ALDH1A1 P00352 1/20 0.33
RECQL P46063 1/20 0.33
PDE4A P27815 1/20 0.33
TDP1 Q9NUW8 2/20 0.32
LTA4H P09960 1/20 0.32
MAPT P10636 2/20 0.31
KDM4E B2RXH2 1/20 0.31
CA4 P22748 1/20 0.30
ATM Q13315 1/20 0.30
NPY5R Q15761 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
Mannitol SCHEMBL28834478 0.75 PDE4A (0.44) LMNAL3MBTL1ALDH1A1PDE4ATDP1
SCHEMBL27821024 0.75 PDE4A (0.40) LMNAL3MBTL1ALDH1A1RECQLPDE4A
SCHEMBL6726577 0.75 PDE4A (0.48) LMNAL3MBTL1ALDH1A1PDE4ATDP1
SCHEMBL5315458 0.71 LMNA (0.43) LMNAL3MBTL1PDE4ATDP1KDM4E
Mannitol SCHEMBL27910852 0.71 KDM4E (0.44) L3MBTL1ALDH1A1PDE4AMAPTKDM4E
SCHEMBL29095957 0.70 PDE4A (0.36) LMNAL3MBTL1PDE4ATDP1MAPT
SCHEMBL18346393 0.69 LMNA (0.37) LMNAL3MBTL1ALDH1A1RECQLTDP1
SCHEMBL978754 0.69 LMNA (0.55) LMNAL3MBTL1ALDH1A1RECQLMAPT
SCHEMBL4952243 0.69 ALDH1A1 (0.44) LMNAL3MBTL1ALDH1A1PDE4ATDP1
SCHEMBL7344923 0.68 PRMT5 (0.46) ALDH1A1MAPTKDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6121296-A ADMINISTERING TO TREAT PARASITIC INFECTION OR DISEASE OR TO TREAT INFECTIONS AND DISEASES CAUSED BY CERTAIN BACTERIAL AND PLANT TOXINS; COMPOUNDS SUCH AS SALT OF 2-PHENYL-3,4-DIHYDROXY-5-HYDROXYMETHYL-PYRROLIDINE ALBERT EINSTEIN COLLEGE OF MEDICINE OF YESHIVA UNIVERSITY (US) 2000-09-19 US disclosed