SCHEMBL14414400

SCHEMBL14414400

CC1O[C@@H](OCC(OCOc2c(-c3ccc(O)c(O)c3)oc3cc(O)cc(O)c3c2=O)[C@@H](O[C@H]2OC(CO)[C@@H](O)[C@@H](O)C2O)[C@@H](O)CO)C(O)[C@@H](O)[C@H]1O

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KDM4E B2RXH2 7/20 0.61
▸ EPHX2 P34913 5/20 0.61
▸ MAPT P10636 4/20 0.61
▸ GAA P10253 4/20 0.61
▸ MAOA P21397 4/20 0.61
▸ XDH P47989 4/20 0.61
▸ POLB P06746 3/20 0.61
▸ KDM1A O60341 2/20 0.61
▸ HMGB1 P09429 2/20 0.61
▸ ADRA2C P18825 2/20 0.61
▸ MAPK1 P28482 2/20 0.61
▸ HES1 Q14469 2/20 0.61
▸ FANCF Q9NPI8 2/20 0.61
▸ PRSS1 P07477 1/20 0.61
▸ PRSS2 P07478 1/20 0.61
▸ ADRA2A P08913 1/20 0.61
▸ CFTR P13569 1/20 0.61
▸ ACHE P22303 1/20 0.61
▸ PRSS3 P35030 1/20 0.61
▸ BACE1 P56817 1/20 0.61

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
SCHEMBL20802174 0.86 KDM4E (0.64) KDM4EEPHX2MAPTGAAMAOA
SCHEMBL20802114 0.81 P4HB (0.66) KDM4EEPHX2MAPTGAAMAOA
SCHEMBL20802113 0.81 GAA (0.69) KDM4EEPHX2MAPTGAAMAOA
SCHEMBL5086742 0.77 P4HB (0.90) KDM4EEPHX2MAPTGAAMAOA
SCHEMBL20801984 0.77 P4HB (0.90) KDM4EEPHX2MAPTGAAMAOA
SCHEMBL31720515 0.77 P4HB (0.90) KDM4EEPHX2MAPTGAAMAOA
SCHEMBL30772282 0.77 P4HB (0.90) KDM4EEPHX2MAPTGAAMAOA
Rutin SCHEMBL23663918 0.76 KDM4E (1.00) KDM4EEPHX2MAPTGAAMAOA
Rutin SCHEMBL21699244 0.76 KDM4E (1.00) KDM4EEPHX2MAPTGAAMAOA
Rutin SCHEMBL21424757 0.76 KDM4E (1.00) KDM4EEPHX2MAPTGAAMAOA

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
WO-2007102125-A2 LIPOPHILIC PERSONAL CARE COMPOSITION THE PROCTER & GAMBLE COMPANY (US) 2007-09-13 — — WO disclosed
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