SCHEMBL7023289

SCHEMBL7023289

Cc1ccc(S[C@H]2O[C@@H](C)[C@@H](OCc3ccccc3)[C@@H](OCc3ccccc3)[C@@H]2OCc2ccccc2)cc1

nearest known ligand 0.37

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
PDPK1 O15530 1/20 0.37
MTOR P42345 1/20 0.37
TACR1 P25103 5/20 0.36
LGALS3 P17931 3/20 0.34
SSTR1 P30872 1/20 0.33
SSTR2 P30874 1/20 0.33
SSTR4 P31391 1/20 0.33
SSTR3 P32745 1/20 0.33
SSTR5 P35346 1/20 0.33
NPC1 O15118 1/20 0.32
RAB9A P51151 1/20 0.32
BCHE P06276 2/20 0.32
MEN1 O00255 1/20 0.32
KMT2A Q03164 1/20 0.32
TACR2 P21452 1/20 0.30
ACHE P22303 1/20 0.30

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
SCHEMBL584260 0.95 TACR1 (0.38) PDPK1MTORTACR1LGALS3SSTR1
SCHEMBL13775043 0.92 PDPK1 (0.40) PDPK1MTORTACR1SSTR1SSTR2
SCHEMBL13858947 0.92 PDPK1 (0.40) PDPK1MTORTACR1SSTR1SSTR2
SCHEMBL584139 0.92 PDPK1 (0.40) PDPK1MTORTACR1SSTR1SSTR2
SCHEMBL19669778 0.92 PDPK1 (0.40) PDPK1MTORTACR1SSTR1SSTR2
SCHEMBL20741926 0.89 TACR1 (0.34) PDPK1MTORTACR1LGALS3MEN1
SCHEMBL8831280 0.89 PDPK1 (0.36) PDPK1MTORTACR1SSTR1SSTR2
SCHEMBL8831054 0.89 PDPK1 (0.36) PDPK1MTORTACR1SSTR1SSTR2
SCHEMBL9058173 0.89 PDPK1 (0.36) PDPK1MTORTACR1SSTR1SSTR2
SCHEMBL18385956 0.85 LGALS3 (0.38) PDPK1MTORTACR1LGALS3SSTR4

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-6538117-B1 Linear sequence of three or more glycosyl units linked to one another by glycosidic linkages; database of reactivity values for glycosyl donors THE SCRIPPS RESEARCH INSTITUTE 2003-03-25 US disclosed