SCHEMBL28081071

SCHEMBL28081071

O=CON[C@@H]1C(O)O[C@@H](CO)[C@@H](O)[C@H]1O

nearest known ligand 0.44

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ KDM4E B2RXH2 1/20 0.44
▸ LMNA P02545 1/20 0.44
▸ CYP2D6 P10635 1/20 0.44
▸ CYP2C19 P33261 1/20 0.44
▸ HK2 P52789 5/20 0.41
▸ HK1 P19367 4/20 0.41
▸ MAPK1 P28482 2/20 0.41
▸ PYGB P11216 1/20 0.37
▸ AMDHD2 Q9Y303 1/20 0.36
▸ ALDH1A1 P00352 1/20 0.36
▸ THRB P10828 1/20 0.36
▸ CA12 O43570 3/20 0.35
▸ CA1 P00915 3/20 0.35
▸ CA2 P00918 3/20 0.35
▸ CA9 Q16790 3/20 0.35

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
SCHEMBL27613884 0.78 KDM4E (0.46) KDM4ELMNACYP2D6CYP2C19HK2
SCHEMBL13787516 0.78 KDM4E (0.46) KDM4ELMNACYP2D6CYP2C19HK2
SCHEMBL20657365 0.77 KDM4E (0.48) KDM4ELMNACYP2D6CYP2C19HK2
SCHEMBL28461019 0.77 KDM4E (0.48) KDM4ELMNACYP2D6CYP2C19HK2
SCHEMBL6674579 0.77 KDM4E (0.48) KDM4ELMNACYP2D6CYP2C19HK2
SCHEMBL31237116 0.77 KDM4E (0.48) KDM4ELMNACYP2D6CYP2C19HK2
SCHEMBL1085802 0.75 KDM4E (0.46) KDM4ELMNACYP2D6CYP2C19HK2
SCHEMBL10344862 0.72 KDM4E (0.49) KDM4ELMNACYP2D6CYP2C19HK2
SCHEMBL28919637 0.72 KDM4E (0.49) KDM4ELMNACYP2D6CYP2C19HK2
SCHEMBL10325207 0.72 KDM4E (0.49) 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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-105722980-A APOB antisense conjugate compounds 罗氏创新中心哥本哈根有限公司 2016-06-29 — — CN disclosed
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