SCHEMBL11754898

SCHEMBL11754898

NC[C@H]1O[C@H](O)[C@H](NC(=O)NCCCl)[C@@H](O)[C@@H]1O

nearest known ligand 0.37

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ LMNA P02545 2/20 0.37
▸ KDM4E B2RXH2 1/20 0.37
▸ CYP2D6 P10635 1/20 0.37
▸ CYP2C19 P33261 1/20 0.37
▸ HK2 P52789 5/20 0.34
▸ HK1 P19367 4/20 0.34
▸ PYGB P11216 1/20 0.33
▸ CA12 O43570 1/20 0.33
▸ CA1 P00915 1/20 0.33
▸ CA2 P00918 1/20 0.33
▸ CA9 Q16790 1/20 0.33
▸ AMDHD2 Q9Y303 1/20 0.30

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
SCHEMBL11415331 0.87 LMNA (0.50) LMNAKDM4ECYP2D6CYP2C19HK2
SCHEMBL11415353 0.87 LMNA (0.50) LMNAKDM4ECYP2D6CYP2C19HK2
SCHEMBL13382478 0.78 LMNA (0.50) LMNAKDM4ECYP2D6CYP2C19HK2
SCHEMBL31105669 0.75 MAPK1 (0.48) LMNAKDM4ECYP2D6CYP2C19HK2
SCHEMBL18849204 0.75 MAPK1 (0.48) LMNAKDM4ECYP2D6CYP2C19HK2
SCHEMBL11777948 0.72 LMNA (0.50) LMNAKDM4ECYP2D6CYP2C19HK2
SCHEMBL11756125 0.70 CA2 (0.49) PYGBCA1CA2CA9
SCHEMBL11758775 0.70 CA2 (0.49) PYGBCA1CA2CA9
SCHEMBL23705263 0.70 KDM4E (0.37) LMNAKDM4ECYP2D6CYP2C19HK2
SCHEMBL24256228 0.70 KDM4E (0.37) LMNAKDM4ECYP2D6CYP2C19HK2

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
US-4057684-A ANTITUMOR TOKYO TANABE COMPANY, LIMITED (JA) 1977-11-08 — — US disclosed
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