SCHEMBL5696160

SCHEMBL5696160

C[C@H](OCc1ccccc1)[C@H](OCc1ccccc1)[C@H](O)CO

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RCE1 Q9Y256 1/20 0.50
MAPT P10636 1/20 0.44
HTT P42858 3/20 0.44
TRPA1 O75762 3/20 0.41
MMP9 P14780 2/20 0.40
MMP8 P22894 2/20 0.40
ALDH1A1 P00352 2/20 0.40
LMNA P02545 1/20 0.40
HPGD P15428 1/20 0.40
TSHR P16473 1/20 0.40
MAPK1 P28482 1/20 0.40
KMT2A Q03164 2/20 0.39
SLC1A3 P43003 2/20 0.38
SLC1A2 P43004 2/20 0.38
SLC1A1 P43005 2/20 0.38
MEN1 O00255 1/20 0.38
CYP1A2 P05177 1/20 0.38
CYP2D6 P10635 1/20 0.38
CYP2C9 P11712 1/20 0.38
CYP2C19 P33261 1/20 0.38

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
SCHEMBL10615694 1.00 RCE1 (0.50) RCE1MAPTHTTTRPA1MMP9
SCHEMBL11961368 0.88 RCE1 (0.50) RCE1MAPTHTTTRPA1MMP9
SCHEMBL16265939 0.88 RCE1 (0.50) RCE1MAPTHTTTRPA1MMP9
SCHEMBL1487082 0.88 RCE1 (0.50) RCE1MAPTHTTTRPA1MMP9
SCHEMBL11961367 0.88 RCE1 (0.50) RCE1MAPTHTTTRPA1MMP9
SCHEMBL11961365 0.88 RCE1 (0.50) RCE1MAPTHTTTRPA1MMP9
SCHEMBL11961366 0.88 RCE1 (0.50) RCE1MAPTHTTTRPA1MMP9
SCHEMBL7159471 0.88 SLC1A3 (0.43) RCE1MAPTTRPA1ALDH1A1LMNA
SCHEMBL14021052 0.88 SLC1A3 (0.43) RCE1MAPTTRPA1ALDH1A1LMNA
SCHEMBL18661849 0.84 RCE1 (0.51) RCE1MAPTHTTMMP9MMP8

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1669355-A1 Aminotetrahydropteridines and processes for manufacture thereof Vasopharm Biotech GmbH (DE) 2006-06-14 EP disclosed
WO-2006058669-A2 AMINOTETRAHYDROPTERIDINES AND PROCESSES FOR THE MANUFACTURE THEREOF VASOPHARM GMBH (DE) 2006-06-08 WO disclosed