SCHEMBL8655831

SCHEMBL8655831

C=CC(=O)N[C@H]1[C@@H](O)[C@H](O)[C@@H](CO)O[C@@H]1O

nearest known ligand 0.54

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.54
KDM4E B2RXH2 1/20 0.54
CYP2D6 P10635 1/20 0.54
CYP2C19 P33261 1/20 0.54
HK2 P52789 5/20 0.53
HK1 P19367 4/20 0.52
MAPK1 P28482 1/20 0.43
PYGB P11216 6/20 0.40
GAA P10253 1/20 0.40
CA2 P00918 1/20 0.39
CA9 Q16790 1/20 0.39
ALDH1A1 P00352 1/20 0.38
THRB P10828 1/20 0.38

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
SCHEMBL31343127 1.00 LMNA (0.54) LMNAKDM4ECYP2D6CYP2C19HK2
SCHEMBL31754235 1.00 LMNA (0.54) LMNAKDM4ECYP2D6CYP2C19HK2
SCHEMBL8655829 1.00 LMNA (0.54) LMNAKDM4ECYP2D6CYP2C19HK2
SCHEMBL15686248 0.84 HK2 (0.40) LMNAKDM4ECYP2D6CYP2C19HK2
SCHEMBL31507892 0.83 LGALS3 (0.49) LMNAKDM4ECYP2D6CYP2C19HK2
SCHEMBL1302590 0.81 LMNA (0.57) LMNAKDM4ECYP2D6CYP2C19HK2
SCHEMBL1303257 0.81 LMNA (0.57) LMNAKDM4ECYP2D6CYP2C19HK2
SCHEMBL20852300 0.81 HK2 (0.56) LMNAKDM4ECYP2D6CYP2C19HK2
SCHEMBL24256660 0.81 CA2 (0.60) MAPK1PYGBCA2CA9ALDH1A1
SCHEMBL25867393 0.81 CA2 (0.60) MAPK1PYGBCA2CA9ALDH1A1

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
JP-10298039-A None JP disclosed
JP-H10298039-A USE OF 2,3-DIHYDROXYPROPYL 2-(1-OXOALKYL)AMINO-2-DEOXYGLUCOPYRANOSIDE IN DEPILATION THERAPEUTIC AGENT ELF ATOCHEM SA 1998-11-10 JP disclosed