SCHEMBL10004142

SCHEMBL10004142

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

nearest known ligand 0.49

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ KDM4E B2RXH2 1/20 0.49
▸ LMNA P02545 1/20 0.49
▸ CYP2D6 P10635 1/20 0.49
▸ CYP2C19 P33261 1/20 0.49
▸ HK2 P52789 5/20 0.45
▸ HK1 P19367 4/20 0.45
▸ PYGB P11216 6/20 0.43
▸ SLC2A1 P11166 1/20 0.41
▸ MAPK1 P28482 1/20 0.40
▸ GAA P10253 1/20 0.39

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
SCHEMBL9938837 1.00 KDM4E (0.49) KDM4ELMNACYP2D6CYP2C19HK2
SCHEMBL9938839 1.00 KDM4E (0.49) KDM4ELMNACYP2D6CYP2C19HK2
SCHEMBL14582934 0.83 KDM4E (0.55) KDM4ELMNACYP2D6CYP2C19HK2
SCHEMBL15966251 0.81 PYGB (0.66) KDM4ELMNACYP2D6CYP2C19HK2
SCHEMBL22166026 0.81 PYGB (0.66) KDM4ELMNACYP2D6CYP2C19HK2
SCHEMBL23315864 0.81 KDM4E (0.52) KDM4ELMNACYP2D6CYP2C19HK2
SCHEMBL14653772 0.81 PYGB (0.66) KDM4ELMNACYP2D6CYP2C19HK2
SCHEMBL21401312 0.81 KDM4E (0.52) KDM4ELMNACYP2D6CYP2C19HK2
SCHEMBL16129445 0.81 KDM4E (0.52) KDM4ELMNACYP2D6CYP2C19HK2
SCHEMBL5158214 0.81 PYGB (0.66) KDM4ELMNACYP2D6CYP2C19HK2

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
WO-2012103990-A1 PHOSPHORAMIDATES OF MONOSACCHARIDES BIOIBERICA, S.A. (ES) 2012-08-09 — — WO disclosed
EP-2471802-A1 Phosphoramidates of monosaccharides Bioiberica, S.A. (ES) 2012-07-04 — — EP disclosed
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