SCHEMBL7880359

SCHEMBL7880359

OCC(O)CN(Cc1ccccc1)CC(O)C(O)C(O)C(O)CO

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PNP P00491 2/20 0.44
POLB P06746 3/20 0.43
ALDH1A1 P00352 3/20 0.41
GAA P10253 2/20 0.41
MAPT P10636 2/20 0.41
MAPK1 P28482 1/20 0.41
NPC1 O15118 1/20 0.40
TSHR P16473 3/20 0.38
NPSR1 Q6W5P4 2/20 0.36
KDM4E B2RXH2 1/20 0.36
NPBWR1 P48145 1/20 0.36
KMT2A Q03164 1/20 0.36
MCHR1 Q99705 1/20 0.36
TRPA1 O75762 1/20 0.35
RECQL P46063 1/20 0.35
LMNA P02545 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.34
HTT P42858 1/20 0.34
DNM1 Q05193 1/20 0.34
CYP1A2 P05177 1/20 0.34

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
SCHEMBL18981882 0.85 CA1 (0.48) POLBALDH1A1GAAMAPTMAPK1
SCHEMBL618073 0.85 PNP (0.53) PNPPOLBALDH1A1GAAMAPT
SCHEMBL28594973 0.85 PNP (0.53) PNPPOLBALDH1A1GAAMAPT
SCHEMBL8839875 0.83 POLB (0.45) PNPPOLBALDH1A1GAAMAPT
SCHEMBL3056624 0.80 POLB (0.45) PNPPOLBALDH1A1GAAMAPT
SCHEMBL12192464 0.79 POLB (0.64) PNPPOLBALDH1A1GAAMAPT
SCHEMBL21936369 0.77 POLB (0.53) PNPPOLBALDH1A1GAAMAPT
Glycerin SCHEMBL27987155 0.77 CNR2 (0.46) PNPPOLBALDH1A1GAAMAPT
SCHEMBL23373779 0.77 LMNA (0.52) ALDH1A1KDM4ELMNAL3MBTL1TDP1
SCHEMBL3195674 0.76 HDAC1 (0.49) MAPTMAPK1

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-6187285-B1 IN PARTICULAR MAGNETIC RESONANCE IMAGING (MRI) FOR MAGNETIC CATIONS. GUERBET (FR) 2001-02-13 US disclosed