SCHEMBL10604737

SCHEMBL10604737

CCO[C@H]1O[C@H](COCc2ccccc2)[C@@H](O[C@@H]2O[C@H](COC(C)=O)[C@H](O[C@@H]3O[C@H](COC(C)=O)[C@H](OC(C)=O)[C@H](OC(C)=O)[C@H]3OC(C)=O)[C@H](OC(C)=O)[C@H]2OC(C)=O)[C@H](OCc2ccccc2)[C@@H]1NC(C)=O

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ POLB P06746 2/20 0.59
▸ LMNA P02545 3/20 0.59
▸ KMT2A Q03164 1/20 0.59
▸ ALDH1A1 P00352 2/20 0.47
▸ CYP2D6 P10635 1/20 0.47
▸ MAPK1 P28482 1/20 0.47
▸ CYP3A4 P08684 1/20 0.47
▸ MAPT P10636 1/20 0.47
▸ CYP2C9 P11712 1/20 0.47
▸ CYP2C19 P33261 1/20 0.47
▸ PRKCA P17252 1/20 0.46
▸ AKT1 P31749 1/20 0.46
▸ PTK2 Q05397 1/20 0.46
▸ TSHR P16473 1/20 0.46
▸ CA12 O43570 10/20 0.45
▸ CA1 P00915 10/20 0.45
▸ CA2 P00918 10/20 0.45
▸ CA9 Q16790 10/20 0.45
▸ CA14 Q9ULX7 4/20 0.44
▸ PAX8 Q06710 1/20 0.44

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
SCHEMBL10604734 1.00 POLB (0.59) POLBLMNAKMT2AALDH1A1CYP2D6
SCHEMBL8038810 0.97 POLB (0.63) POLBLMNAKMT2AALDH1A1CYP2D6
SCHEMBL8831104 0.90 POLB (0.57) POLBLMNAKMT2AALDH1A1CYP2D6
SCHEMBL10526349 0.89 POLB (0.53) POLBLMNAKMT2AALDH1A1CYP2D6
SCHEMBL8038807 0.89 POLB (0.60) POLBLMNAKMT2AALDH1A1CYP2D6
SCHEMBL25913950 0.88 LMNA (0.54) POLBLMNAKMT2AALDH1A1CYP2D6
SCHEMBL10608406 0.88 LMNA (0.57) POLBLMNAKMT2AALDH1A1CYP2D6
SCHEMBL15617817 0.86 CYP2D6 (0.51) POLBLMNAKMT2AALDH1A1CYP2D6
SCHEMBL13541650 0.86 CYP2D6 (0.51) POLBLMNAKMT2AALDH1A1CYP2D6
SCHEMBL8831093 0.86 POLB (0.60) POLBLMNAKMT2AALDH1A1CYP2D6

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-0098252-B1 NEW AND NOVEL GLYCOSIDES, GLYCOCONJUGATES AND PROCESSES FOR THEIR PREPARATION BIOCARB AB (SE) 1989-06-07 — — EP disclosed
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