SCHEMBL8961536

SCHEMBL8961536

CC(=O)Nc1ccc(O)c(N2CCOCC2)c1

nearest known ligand 0.57

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.57
HTT P42858 2/20 0.57
KDM4E B2RXH2 2/20 0.57
POLB P06746 3/20 0.55
MOK Q9UQ07 1/20 0.52
HPGD P15428 1/20 0.52
MAPT P10636 5/20 0.50
RAB9A P51151 2/20 0.50
LMNA P02545 2/20 0.50
L3MBTL1 Q9Y468 1/20 0.50
SMN1; SMN2 Q16637 2/20 0.49
EPHX1 P07099 1/20 0.49
TDP1 Q9NUW8 1/20 0.49
ACHE P22303 1/20 0.48
MEN1 O00255 3/20 0.48
KMT2A Q03164 3/20 0.48
MAPK1 P28482 1/20 0.48
NPSR1 Q6W5P4 1/20 0.48
GAA P10253 1/20 0.48

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
SCHEMBL2010279 0.89 ALDH1A1 (0.60) ALDH1A1HTTKDM4EPOLBMOK
SCHEMBL29769098 0.83 ALDH1A1 (0.63) ALDH1A1HTTKDM4EPOLBMOK
SCHEMBL29769157 0.83 RAB9A (0.70) ALDH1A1HTTKDM4EPOLBHPGD
SCHEMBL20922083 0.82 HTT (0.66) ALDH1A1HTTKDM4EPOLBHPGD
SCHEMBL7800600 0.81 MAPT (0.60) ALDH1A1HTTKDM4EPOLBHPGD
SCHEMBL17478627 0.81 KDM4E (0.67) ALDH1A1HTTKDM4EHPGDRAB9A
SCHEMBL2848712 0.80 HPGD (0.67) ALDH1A1HTTKDM4EPOLBMOK
SCHEMBL8253702 0.79 ALDH1A1 (0.56) ALDH1A1HTTKDM4EPOLBMOK
SCHEMBL429085 0.79 MAPT (0.75) ALDH1A1KDM4EPOLBMAPTRAB9A
SCHEMBL6814763 0.77 MAPT (0.66) ALDH1A1HTTHPGDMAPTRAB9A

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-5571682-A REDUCING INTERFERENT BIAS SUCH AS HEMOGLOBIN JOHNSON & JOHNSON CLINICAL DIAGNOSTICS, INC. (US) 1996-11-05 US disclosed