SCHEMBL5198375

SCHEMBL5198375

CC(=O)O[C@@H]1[C@@H](O)[C@H](OCc2ccccc2)[C@@H](COCc2ccccc2)O[C@H]1O

nearest known ligand 0.51

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
TACR2 P21452 3/20 0.51
NT5E P21589 1/20 0.48
GJB2 P29033 1/20 0.47
TSHR P16473 1/20 0.44
PTPN1 P18031 5/20 0.43
CDC25B P30305 5/20 0.43
SSTR4 P31391 1/20 0.42
TP53 P04637 1/20 0.42
MDM2 Q00987 1/20 0.42
PTPN2 P17706 2/20 0.41
PTPN6 P29350 2/20 0.41
PTPN11 Q06124 2/20 0.41
BCHE P06276 1/20 0.41
HTR1A P08908 1/20 0.41
LMNA P02545 1/20 0.41
GJA1 P17302 1/20 0.41

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
SCHEMBL5198380 1.00 TACR2 (0.51) TACR2NT5EGJB2TSHRPTPN1
SCHEMBL16318258 0.94 TSHR (0.46) TACR2NT5EGJB2TSHRPTPN1
SCHEMBL18241576 0.92 NT5E (0.51) TACR2NT5ETSHRPTPN1CDC25B
SCHEMBL22073055 0.92 TSHR (0.50) TACR2NT5ETSHRPTPN1CDC25B
SCHEMBL18744567 0.92 NT5E (0.51) TACR2NT5ETSHRPTPN1CDC25B
SCHEMBL19731824 0.92 NT5E (0.51) TACR2NT5ETSHRPTPN1CDC25B
SCHEMBL2482599 0.92 NT5E (0.51) TACR2NT5ETSHRPTPN1CDC25B
SCHEMBL4181388 0.92 NT5E (0.51) TACR2NT5ETSHRPTPN1CDC25B
SCHEMBL8225871 0.92 NT5E (0.51) TACR2NT5ETSHRPTPN1CDC25B
SCHEMBL1775948 0.92 NT5E (0.48) TACR2NT5ETSHRPTPN1CDC25B

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1252171-B1 METHOD FOR PREPARING FUNCTIONALISED BETA-(1,3)-GLUCAN DERIVATIVES GOEMAR LAB SA (FR) 2007-08-15 EP disclosed
EP-1252171-A1 METHOD FOR PREPARING FUNCTIONALISED BETA-(1,3)-GLUCAN DERIVATIVES LABORATOIRES GOEMAR S.A. (FR) 2002-10-30 EP disclosed
WO-2001057053-A1 METHOD FOR PREPARING FUNCTIONALISED BETA-(1,3)-GLUCAN DERIVATIVES LABORATOIRES GOEMAR (FR) 2001-08-09 WO disclosed