SCHEMBL15617817

SCHEMBL15617817

CC(=O)OCC1O[C@@H](O[C@@H]2C(COC(C)=O)O[C@@H](O[C@@H]3C(COCc4ccccc4)O[C@@H](C)C(OCc4ccccc4)[C@H]3OCc3ccccc3)C(OC(C)=O)[C@H]2OC(C)=O)C(OC(C)=O)[C@@H](OC(C)=O)[C@@H]1OC(C)=O

nearest known ligand 0.51

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ CYP2D6 P10635 1/20 0.51
▸ ALDH1A1 P00352 1/20 0.51
▸ MAPK1 P28482 1/20 0.51
▸ TSHR P16473 1/20 0.50
▸ LMNA P02545 2/20 0.49
▸ PRKCA P17252 1/20 0.49
▸ AKT1 P31749 1/20 0.49
▸ PTK2 Q05397 1/20 0.49
▸ KMT2A Q03164 1/20 0.48
▸ CA1 P00915 9/20 0.47
▸ CA2 P00918 9/20 0.47
▸ CA9 Q16790 9/20 0.47
▸ CA12 O43570 8/20 0.47
▸ POLB P06746 1/20 0.47
▸ PAX8 Q06710 1/20 0.46

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
SCHEMBL13541650 1.00 CYP2D6 (0.51) CYP2D6ALDH1A1MAPK1TSHRLMNA
SCHEMBL13775028 0.92 LMNA (0.48) CYP2D6ALDH1A1MAPK1TSHRLMNA
SCHEMBL22677688 0.91 CYP2D6 (0.51) CYP2D6ALDH1A1MAPK1TSHRLMNA
SCHEMBL14416242 0.90 NT5E (0.51) CYP2D6ALDH1A1MAPK1LMNA
SCHEMBL14413403 0.90 NT5E (0.51) CYP2D6ALDH1A1MAPK1LMNA
SCHEMBL22677447 0.90 SSTR1 (0.51) CYP2D6ALDH1A1MAPK1TSHRLMNA
SCHEMBL22677754 0.90 SSTR1 (0.51) CYP2D6ALDH1A1MAPK1TSHRLMNA
SCHEMBL13775076 0.89 CYP2D6 (0.42) CYP2D6ALDH1A1MAPK1TSHRLMNA
SCHEMBL14413419 0.89 NT5E (0.47) CYP2D6ALDH1A1MAPK1
SCHEMBL19976435 0.88 TSHR (0.62) CYP2D6ALDH1A1MAPK1TSHRLMNA

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
US-8680020-B2 Glycan arrays on PTFE-like aluminum coated glass slides and related methods ACADEMIA SINICA (TW) 2014-03-25 — — US disclosed
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