SCHEMBL7582817

SCHEMBL7582817

C=CCO[C@H]1O[C@H](COCc2ccccc2)[C@@H](OCC=C)[C@H](OC)[C@H]1OC(C)=O

nearest known ligand 0.45

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
NT5E P21589 1/20 0.44
CYP2D6 P10635 1/20 0.43
ALDH1A1 P00352 1/20 0.43
MAPK1 P28482 1/20 0.43
GJB2 P29033 1/20 0.42
PTPN1 P18031 8/20 0.42
CDC25B P30305 6/20 0.42
SSTR1 P30872 1/20 0.41
SSTR2 P30874 1/20 0.41
SSTR4 P31391 1/20 0.41
SSTR3 P32745 1/20 0.41
SSTR5 P35346 1/20 0.41
PTPN2 P17706 4/20 0.41
PTPN6 P29350 3/20 0.41
PTPN11 Q06124 3/20 0.41
LMNA P02545 2/20 0.41
KMT2A Q03164 1/20 0.39
SELP P16109 1/20 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
SCHEMBL7582813 0.91 LGALS8 (0.42) NT5ECYP2D6ALDH1A1MAPK1GJB2
SCHEMBL7079491 0.91 PTPN1 (0.51) NT5ECYP2D6ALDH1A1MAPK1PTPN1
SCHEMBL7079489 0.91 PTPN1 (0.51) NT5ECYP2D6ALDH1A1MAPK1PTPN1
SCHEMBL6949828 0.88 GJB2 (0.46) NT5ECYP2D6GJB2PTPN1CDC25B
SCHEMBL6949834 0.88 GJB2 (0.46) NT5ECYP2D6GJB2PTPN1CDC25B
SCHEMBL6948295 0.87 GJB2 (0.44) NT5EGJB2PTPN1CDC25BSSTR1
SCHEMBL7571875 0.87 SSTR1 (0.53) NT5EGJB2PTPN1CDC25BSSTR1
SCHEMBL7571873 0.87 SSTR1 (0.53) NT5EGJB2PTPN1CDC25BSSTR1
SCHEMBL6553277 0.86 CYP2D6 (0.46) NT5ECYP2D6ALDH1A1MAPK1PTPN1
SCHEMBL6553285 0.86 CYP2D6 (0.46) NT5ECYP2D6ALDH1A1MAPK1PTPN1

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
EP-0912613-B1 SYNTHETIC POLYSACCHARIDES, PREPARATION METHOD THEREFOR AND PHARMACEUTICAL COMPOSITIONS CONTAINING SAME SANOFI SYNTHELABO (FR) 2002-09-25 EP disclosed