SCHEMBL8909083

SCHEMBL8909083

CCOC(=O)C(O)C(O)c1cc2c(cc1[N+](=O)[O-])OCO2

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SRC P12931 1/20 0.52
ALDH1A1 P00352 11/20 0.49
LMNA P02545 2/20 0.49
MAPT P10636 8/20 0.47
KDM4E B2RXH2 7/20 0.47
MEN1 O00255 5/20 0.47
KMT2A Q03164 5/20 0.47
POLB P06746 3/20 0.47
THRB P10828 1/20 0.47
RECQL P46063 1/20 0.47
F2 P00734 1/20 0.45
SMN1; SMN2 Q16637 1/20 0.45
RCE1 Q9Y256 1/20 0.45
L3MBTL1 Q9Y468 4/20 0.43
MCL1 Q07820 1/20 0.43
GAA P10253 1/20 0.43
TDP1 Q9NUW8 1/20 0.43
HTT P42858 1/20 0.42
RAB9A P51151 1/20 0.41
HPGD P15428 1/20 0.40

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
SCHEMBL8909427 0.80 HTT (0.50) ALDH1A1LMNAMAPTKDM4EMEN1
SCHEMBL8066949 0.79 SRC (0.48) SRCALDH1A1LMNAMAPTKDM4E
SCHEMBL8909742 0.79 ALDH1A1 (0.47) SRCALDH1A1LMNAMAPTKDM4E
SCHEMBL11697244 0.78 SRC (0.51) SRCALDH1A1LMNAMAPTKDM4E
SCHEMBL6999409 0.77 MAPT (0.47) SRCALDH1A1LMNAMAPTKDM4E
SCHEMBL11697405 0.76 ALDH1A1 (0.56) SRCALDH1A1LMNAMAPTKDM4E
SCHEMBL668092 0.75 SRC (0.66) SRCALDH1A1LMNAMAPTKDM4E
SCHEMBL29628001 0.75 SRC (0.66) SRCALDH1A1LMNAMAPTKDM4E
SCHEMBL29494000 0.75 MAPT (0.51) ALDH1A1LMNAMAPTKDM4EMEN1
SCHEMBL19040594 0.75 MAPT (0.51) ALDH1A1LMNAMAPTKDM4EMEN1

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-5670664-A Photosensitive organic compounds that release carbon monoxide upon illumination UNIVERSITY OF MARYLAND BIOTECHNOLOGY INSTITUTE (US) 1997-09-23 US disclosed