SCHEMBL9045441

SCHEMBL9045441

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

nearest known ligand 0.61

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
TACR2 P21452 1/20 0.47
PDPK1 O15530 2/20 0.45
MTOR P42345 1/20 0.45
SLC6A2 P23975 1/20 0.44
TSHR P16473 1/20 0.43
CYP2C19 P33261 1/20 0.43
PDE4D Q08499 1/20 0.42
SSTR1 P30872 1/20 0.42
SSTR2 P30874 1/20 0.42
SSTR4 P31391 1/20 0.42
SSTR3 P32745 1/20 0.42
SSTR5 P35346 1/20 0.42
BCHE P06276 1/20 0.40
LGALS8 O00214 1/20 0.39
PTPN1 P18031 2/20 0.39
CDC25B P30305 2/20 0.39

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
SCHEMBL18733216 1.00 TACR2 (0.47) TACR2PDPK1MTORSLC6A2TSHR
SCHEMBL26836197 1.00 TACR2 (0.47) TACR2PDPK1MTORSLC6A2TSHR
SCHEMBL14490084 0.91 TACR2 (0.42) TACR2PDPK1MTORSLC6A2SSTR1
SCHEMBL26506256 0.89 SSTR5 (0.46) TACR2SLC6A2SSTR1SSTR2SSTR4
SCHEMBL14413417 0.88 SLC6A2 (0.48) TACR2PDPK1MTORSLC6A2TSHR
SCHEMBL14490090 0.88 SLC6A2 (0.54) TACR2PDPK1MTORSLC6A2TSHR
SCHEMBL19620457 0.88 SLC6A2 (0.48) TACR2PDPK1MTORSLC6A2TSHR
SCHEMBL10408203 0.87 PDE4D (0.51) TACR2PDPK1MTORSLC6A2TSHR
SCHEMBL10408205 0.87 PDE4D (0.51) TACR2PDPK1MTORSLC6A2TSHR
SCHEMBL19762885 0.87 SLC6A2 (0.44) TACR2PDPK1MTORSLC6A2TSHR

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
JP-8127588-A None JP disclosed
JP-H08127588-A PRODUCTION OF GALACTOFURANOSIDES NOGUCHI KENKYUSHO 1996-05-21 JP disclosed