SCHEMBL671123

SCHEMBL671123

C=C(C)C(=O)O[C@@]1(OCCCCCCCC)O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O

nearest known ligand 0.42

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.42
MAPK1 P28482 1/20 0.40
PYGB P11216 2/20 0.34
PRKCA P17252 4/20 0.33
PRKD3 O94806 3/20 0.33
PRKCG P05129 3/20 0.33
PRKCB P05771 3/20 0.33
PRKCH P24723 3/20 0.33
PRKCE Q02156 3/20 0.33
PRKCQ Q04759 3/20 0.33
PRKCD Q05655 3/20 0.33
PRKD1 Q15139 3/20 0.33
ASGR1 P07306 1/20 0.32

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
SCHEMBL8401721 0.81 PRKCA (0.42) MAPK1PRKCA
SCHEMBL11857799 0.81 THRB (0.37) TSHRPYGB
SCHEMBL671709 0.80 MAPK1 (0.38) MAPK1PYGB
SCHEMBL4951061 0.75 PYGB (0.40) PYGB
SCHEMBL670242 0.74 TSHR (0.40) TSHRMAPK1
SCHEMBL5149118 0.74 MAPK1 (0.39) MAPK1PYGB
SCHEMBL1665805 0.73 MAPK1 (0.44) MAPK1PYGBPRKCAPRKD3PRKCG
SCHEMBL2122988 0.73 MAPK1 (0.44) MAPK1PYGBPRKCAPRKD3PRKCG
SCHEMBL4950246 0.72 PYGB (0.41) PYGB
SCHEMBL4950538 0.72 PYGB (0.41) PYGB

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