SCHEMBL8930010

SCHEMBL8930010

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

nearest known ligand 0.54

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.54
LMNA P02545 1/20 0.54
CYP2D6 P10635 1/20 0.54
CYP2C19 P33261 1/20 0.54
HK2 P52789 6/20 0.53
HK1 P19367 5/20 0.49
MAPK1 P28482 1/20 0.43
ASGR1 P07306 1/20 0.41
PYGB P11216 6/20 0.40
GAA P10253 1/20 0.40

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
SCHEMBL14520981 1.00 KDM4E (0.54) KDM4ELMNACYP2D6CYP2C19HK2
SCHEMBL15965649 1.00 KDM4E (0.54) KDM4ELMNACYP2D6CYP2C19HK2
SCHEMBL15966250 1.00 KDM4E (0.54) KDM4ELMNACYP2D6CYP2C19HK2
SCHEMBL15966292 1.00 KDM4E (0.54) KDM4ELMNACYP2D6CYP2C19HK2
SCHEMBL12371561 1.00 KDM4E (0.54) KDM4ELMNACYP2D6CYP2C19HK2
SCHEMBL17210624 1.00 KDM4E (0.54) KDM4ELMNACYP2D6CYP2C19HK2
SCHEMBL15966273 1.00 KDM4E (0.54) KDM4ELMNACYP2D6CYP2C19HK2
SCHEMBL15590477 1.00 KDM4E (0.54) KDM4ELMNACYP2D6CYP2C19HK2
SCHEMBL21753475 1.00 KDM4E (0.54) KDM4ELMNACYP2D6CYP2C19HK2
SCHEMBL13012256 1.00 KDM4E (0.54) 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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
JP-3081282-A None JP disclosed
WO-1997014709-A1 ANTISENSE OLIGOMERS F. HOFFMANN-LA ROCHE AG (CH) 1997-04-24 WO disclosed
JP-H0381282-A GLUCOSAMINE DERIVATIVE AND PRODUCTION THEREOF YAIZU SUISAN KAGAKU KOGYO KK 1991-04-05 JP disclosed