SCHEMBL6553285

SCHEMBL6553285

C=CCOC[C@H]1O[C@H](OCc2ccccc2)[C@H](OC(C)=O)[C@@H](OCC=C)[C@H]1OC(C)=O

nearest known ligand 0.46

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CYP2D6 P10635 1/20 0.46
ALDH1A1 P00352 1/20 0.46
MAPK1 P28482 1/20 0.46
TSHR P16473 1/20 0.44
LMNA P02545 2/20 0.44
POLB P06746 1/20 0.44
PTPN1 P18031 7/20 0.43
CDC25B P30305 7/20 0.43
KMT2A Q03164 1/20 0.43
PTPN2 P17706 4/20 0.42
PTPN6 P29350 4/20 0.42
PTPN11 Q06124 4/20 0.42
NT5E P21589 1/20 0.41
SSTR1 P30872 1/20 0.40
SSTR2 P30874 1/20 0.40
SSTR4 P31391 1/20 0.40
SSTR3 P32745 1/20 0.40
SSTR5 P35346 1/20 0.40
SELP P16109 1/20 0.40

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
SCHEMBL6553277 1.00 CYP2D6 (0.46) CYP2D6ALDH1A1MAPK1TSHRLMNA
SCHEMBL9800987 0.94 NT5E (0.46) CYP2D6ALDH1A1MAPK1TSHRLMNA
SCHEMBL7079489 0.93 PTPN1 (0.51) CYP2D6ALDH1A1MAPK1PTPN1CDC25B
SCHEMBL7079491 0.93 PTPN1 (0.51) CYP2D6ALDH1A1MAPK1PTPN1CDC25B
SCHEMBL9853907 0.92 CYP2D6 (0.54) CYP2D6ALDH1A1MAPK1TSHRLMNA
SCHEMBL9853902 0.92 CYP2D6 (0.54) CYP2D6ALDH1A1MAPK1TSHRLMNA
SCHEMBL7582817 0.86 NT5E (0.44) CYP2D6ALDH1A1MAPK1LMNAPTPN1
SCHEMBL6553536 0.85 SSTR1 (0.51) PTPN1CDC25BPTPN2PTPN6PTPN11
SCHEMBL6553544 0.85 SSTR1 (0.51) PTPN1CDC25BPTPN2PTPN6PTPN11
SCHEMBL7593999 0.84 PTPN1 (0.46) CYP2D6ALDH1A1MAPK1PTPN1CDC25B

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-1018515-B1 Oligosaccharide, method for producing it and pharmaceutical composition containing it SEIKAGAKU KOGYO CO LTD (JP) 2004-02-18 EP disclosed
US-6562954-B1 Oligosaccharide for use as tool in human therapeutics SEIKAGAKU CORPORATION (JP) 2003-05-13 US disclosed
EP-1018515-A1 Oligosaccharide, method for producing it and pharmaceutical composition containing it SEIKAGAKU CORPORATION (JP) 2000-07-12 EP disclosed