SCHEMBL13858947

SCHEMBL13858947

C[C@H]1O[C@H](Sc2ccccc2)[C@@H](OCc2ccccc2)[C@@H](OCc2ccccc2)[C@@H]1OCc1ccccc1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDPK1 O15530 2/20 0.40
MTOR P42345 1/20 0.40
SSTR1 P30872 1/20 0.36
SSTR2 P30874 1/20 0.36
SSTR4 P31391 1/20 0.36
SSTR3 P32745 1/20 0.36
SSTR5 P35346 1/20 0.36
BCHE P06276 3/20 0.34
ACHE P22303 2/20 0.33
PSEN1 P49768 1/20 0.32
PSEN2 P49810 1/20 0.32
APH1B Q8WW43 1/20 0.32
NCSTN Q92542 1/20 0.32
APH1A Q96BI3 1/20 0.32
PSENEN Q9NZ42 1/20 0.32
TSHR P16473 1/20 0.32
MAPT P10636 1/20 0.32
CYP2C19 P33261 1/20 0.32
TACR1 P25103 2/20 0.32
PTPN1 P18031 1/20 0.31

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
SCHEMBL19669778 1.00 PDPK1 (0.40) PDPK1MTORSSTR1SSTR2SSTR4
SCHEMBL584139 1.00 PDPK1 (0.40) PDPK1MTORSSTR1SSTR2SSTR4
SCHEMBL13775043 1.00 PDPK1 (0.40) PDPK1MTORSSTR1SSTR2SSTR4
SCHEMBL7023289 0.92 PDPK1 (0.37) PDPK1MTORSSTR1SSTR2SSTR4
SCHEMBL584260 0.92 TACR1 (0.38) PDPK1MTORSSTR1SSTR2SSTR4
SCHEMBL8469404 0.91 LTA4H (0.40) PDPK1MTORSSTR1SSTR2SSTR4
SCHEMBL25981669 0.91 FGF1 (0.38) PDPK1MTORSSTR1SSTR2SSTR4
SCHEMBL9058173 0.91 PDPK1 (0.36) PDPK1MTORSSTR1SSTR2SSTR4
SCHEMBL8831280 0.91 PDPK1 (0.36) PDPK1MTORSSTR1SSTR2SSTR4
SCHEMBL8831054 0.91 PDPK1 (0.36) PDPK1MTORSSTR1SSTR2SSTR4

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-2012156750-A1 HIV VACCINE ISIS INNOVATION LIMITED (GB) 2012-11-22 WO disclosed