SCHEMBL671709

SCHEMBL671709

CCCCCCCCO[C@]1(OCCO)O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O

nearest known ligand 0.46

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 1/20 0.38
MEN1 O00255 1/20 0.37
THRB P10828 1/20 0.37
HTT P42858 1/20 0.37
KMT2A Q03164 1/20 0.37
MAPT P10636 1/20 0.37
ADORA2A P29274 2/20 0.36
ADORA2B P29275 2/20 0.36
GBA1 P04062 1/20 0.35
PYGB P11216 2/20 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
SCHEMBL28155328 0.92 MAPK1 (0.41) MAPK1ADORA2AADORA2BGBA1PYGB
SCHEMBL27530777 0.87 MAPK1 (0.36) MAPK1ADORA2AADORA2BGBA1PYGB
SCHEMBL5149118 0.82 MAPK1 (0.39) MAPK1ADORA2AADORA2BGBA1PYGB
SCHEMBL671123 0.80 TSHR (0.42) MAPK1PYGB
SCHEMBL8401721 0.80 PRKCA (0.42) MAPK1
SCHEMBL4953623 0.79 MAPK1 (0.39) MAPK1ADORA2AADORA2BGBA1PYGB
SCHEMBL14975911 0.78 MAPK1 (0.37) MAPK1MEN1THRBHTTKMT2A
SCHEMBL8864783 0.78 MAPK1 (0.38) MAPK1ADORA2AADORA2BGBA1PYGB
SCHEMBL8864165 0.78 MAPK1 (0.38) MAPK1ADORA2AADORA2BGBA1PYGB
SCHEMBL7804811 0.78 MAPK1 (0.38) MAPK1ADORA2AADORA2BGBA1PYGB

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
WO-2012024688-A1 MULTIPHASE SYSTEMS AND USES THEREOF PRESIDENT AND FELLOWS OF HARVARD COLLEGE (US) 2012-02-23 WO disclosed