SCHEMBL7165048

SCHEMBL7165048

C#C[C@@]1(OC(=O)c2ccccc2)[C@@H](COC(=O)c2ccccc2)O[C@@H](n2cc(F)c(N)nc2=O)[C@@H]1OC(=O)c1ccccc1

nearest known ligand 0.37

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 3/20 0.36
▸ DCK P27707 5/20 0.36
▸ HTT P42858 1/20 0.34
▸ BACE1 P56817 1/20 0.34
▸ ALB P02768 1/20 0.34
▸ POLB P06746 2/20 0.34
▸ MEN1 O00255 1/20 0.34
▸ USP2 O75604 1/20 0.34
▸ KMT2A Q03164 1/20 0.34
▸ GAPDH P04406 2/20 0.32
▸ CA1 P00915 1/20 0.32
▸ CA2 P00918 1/20 0.32
▸ CA9 Q16790 1/20 0.32
▸ POLG P54098 1/20 0.32
▸ HRAS P01112 1/20 0.31
▸ PPM1B O75688 1/20 0.31
▸ NT5E P21589 1/20 0.31

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
SCHEMBL7157425 0.87 NT5E (0.40) ALDH1A1HTTPOLBMEN1USP2
SCHEMBL7162036 0.85 MEN1 (0.38) ALDH1A1HTTPOLBMEN1USP2
SCHEMBL16131607 0.82 ALDH1A1 (0.38) ALDH1A1DCKHTTBACE1ALB
SCHEMBL13708357 0.81 ALDH1A1 (0.37) ALDH1A1DCKHTTBACE1ALB
SCHEMBL7162782 0.80 NT5E (0.47) POLBMEN1USP2KMT2ANT5E
SCHEMBL7162040 0.79 RNASE1 (0.47) ALDH1A1HTTALBPOLBMEN1
SCHEMBL7166943 0.78 NT5E (0.38) ALDH1A1HTTPOLBMEN1USP2
SCHEMBL13708355 0.77 ALDH1A1 (0.42) ALDH1A1DCKHTTBACE1ALB
SCHEMBL7165495 0.76 ST6GAL1 (0.37) ALDH1A1HTTPOLBMEN1USP2
SCHEMBL11598911 0.76 MEN1 (0.55) ALDH1A1DCKHTTALBPOLB

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0747389-B1 3'-SUBSTITUTED NUCLEOSIDE DERIVATIVES TAIHO PHARMACEUTICAL CO LTD (JP) 2003-09-10 — — EP disclosed
US-RE38090-E1 Antitumor activity; useful for treatment and prevention of cancers Matsuda, Akira (JP) 2003-04-22 — — US disclosed
US-5763418-A NUCLEOTIDE ANTITUMOR AGENTS Matsuda, Akira (JP) 1998-06-09 — — US disclosed
EP-0747389-A1 3'-SUBSTITUTED NUCLEOSIDE DERIVATIVES TAIHO PHARMACEUTICAL CO., LTD. (JP) 1996-12-11 — — EP disclosed
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