SCHEMBL7582813

SCHEMBL7582813

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

nearest known ligand 0.42

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
LGALS8 O00214 1/20 0.42
SLC6A2 P23975 1/20 0.41
CYP2D6 P10635 1/20 0.40
ALDH1A1 P00352 1/20 0.40
MAPK1 P28482 1/20 0.40
NT5E P21589 1/20 0.40
GJB2 P29033 2/20 0.38
PTPN1 P18031 3/20 0.38
CDC25B P30305 3/20 0.38
LMNA P02545 2/20 0.38
TACR1 P25103 1/20 0.38
LGALS9 O00182 1/20 0.38
SSTR4 P31391 1/20 0.37
TACR2 P21452 1/20 0.37
SELP P16109 1/20 0.37
KMT2A Q03164 1/20 0.37

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
SCHEMBL6949828 0.92 GJB2 (0.46) SLC6A2CYP2D6NT5EGJB2PTPN1
SCHEMBL6949834 0.92 GJB2 (0.46) SLC6A2CYP2D6NT5EGJB2PTPN1
SCHEMBL7582817 0.91 NT5E (0.44) CYP2D6ALDH1A1MAPK1NT5EGJB2
SCHEMBL1673979 0.86 LMNA (0.49) LGALS8SLC6A2ALDH1A1NT5ELMNA
SCHEMBL8049988 0.85 LGALS8 (0.51) LGALS8SLC6A2CYP2D6ALDH1A1MAPK1
SCHEMBL7079491 0.84 PTPN1 (0.51) CYP2D6ALDH1A1MAPK1NT5EPTPN1
SCHEMBL7079489 0.84 PTPN1 (0.51) CYP2D6ALDH1A1MAPK1NT5EPTPN1
SCHEMBL22677736 0.83 SSTR4 (0.49) LGALS8NT5EGJB2PTPN1CDC25B
SCHEMBL22677760 0.83 SSTR4 (0.49) LGALS8NT5EGJB2PTPN1CDC25B
SCHEMBL20139723 0.82 SLC6A2 (0.47) SLC6A2NT5EGJB2PTPN1CDC25B

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