SCHEMBL4617468

SCHEMBL4617468

CC(=O)OC[C@H]1O[C@@H](Oc2ccc(N)cc2)[C@H](F)[C@@H](OC(C)=O)[C@@H]1OC(C)=O

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ LMNA P02545 3/20 0.55
▸ ALDH1A1 P00352 2/20 0.55
▸ POLB P06746 1/20 0.55
▸ TSHR P16473 1/20 0.48
▸ CA12 O43570 3/20 0.47
▸ CA2 P00918 3/20 0.47
▸ CA1 P00915 2/20 0.47
▸ CA4 P22748 2/20 0.47
▸ CA5A P35218 2/20 0.47
▸ CA7 P43166 2/20 0.47
▸ CA5B Q9Y2D0 2/20 0.47
▸ CYP2D6 P10635 1/20 0.46
▸ THRB P10828 1/20 0.46
▸ HSD17B10 Q99714 1/20 0.46
▸ KDM4E B2RXH2 1/20 0.46
▸ MEN1 O00255 2/20 0.45
▸ CYP3A4 P08684 2/20 0.45
▸ KMT2A Q03164 2/20 0.45
▸ TP53 P04637 1/20 0.45
▸ CYP2C9 P11712 1/20 0.45

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
SCHEMBL4617475 1.00 LMNA (0.55) LMNAALDH1A1POLBTSHRCA12
SCHEMBL6436212 0.90 LMNA (0.58) LMNAALDH1A1POLBTSHRCA12
SCHEMBL16023529 0.90 LMNA (0.58) LMNAALDH1A1POLBTSHRCA12
SCHEMBL16023528 0.90 LMNA (0.58) LMNAALDH1A1POLBTSHRCA12
SCHEMBL10119659 0.90 LMNA (0.58) LMNAALDH1A1POLBTSHRCA12
SCHEMBL6437585 0.90 LMNA (0.58) LMNAALDH1A1POLBTSHRCA12
SCHEMBL6898150 0.90 LMNA (0.58) LMNAALDH1A1POLBTSHRCA12
SCHEMBL6437587 0.90 LMNA (0.58) LMNAALDH1A1POLBTSHRCA12
SCHEMBL6436210 0.90 LMNA (0.58) LMNAALDH1A1POLBTSHRCA12
SCHEMBL11042081 0.85 ALDH1A1 (0.54) LMNAALDH1A1POLBCA12CA2

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
EP-1881000-A1 Conjugates of 2-fluoro-2-deoxy-glucose and their uses as anti cancer agents INSTITUT NATIONAL DE LA SANTE ET DE LA RECHERCHE MEDICALE (INSERM) (FR) 2008-01-23 — — EP disclosed
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