SCHEMBL7157425

SCHEMBL7157425

C#C[C@@]1(OC(=O)c2ccccc2)[C@@H](COC(=O)c2ccccc2)O[C@@H](n2ccc(N)nc2=O)[C@@H]1OC(=O)c1ccccc1

nearest known ligand 0.40

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ NT5E P21589 2/20 0.40
▸ ST6GAL1 P15907 5/20 0.38
▸ LMNA P02545 1/20 0.38
▸ THRB P10828 1/20 0.38
▸ MTOR P42345 1/20 0.38
▸ MDM2 Q00987 1/20 0.38
▸ NCOA1 Q15788 1/20 0.38
▸ NCOA3 Q9Y6Q9 1/20 0.38
▸ ALDH1A1 P00352 2/20 0.37
▸ POLB P06746 2/20 0.35
▸ MEN1 O00255 1/20 0.35
▸ USP2 O75604 1/20 0.35
▸ KMT2A Q03164 1/20 0.35
▸ PDE4D Q08499 1/20 0.34
▸ PDE3A Q14432 1/20 0.34
▸ SLC29A1 Q99808 1/20 0.34
▸ HTT P42858 1/20 0.34
▸ POLA1 P09884 1/20 0.34

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
SCHEMBL7166943 0.90 NT5E (0.38) NT5EST6GAL1LMNATHRBMTOR
SCHEMBL7165495 0.88 ST6GAL1 (0.37) NT5EST6GAL1LMNATHRBMTOR
SCHEMBL7165048 0.87 ALDH1A1 (0.36) NT5EALDH1A1POLBMEN1USP2
SCHEMBL7162782 0.83 NT5E (0.47) NT5EPOLBMEN1USP2KMT2A
SCHEMBL7158886 0.83 ST6GAL1 (0.40) NT5EST6GAL1LMNATHRBMTOR
SCHEMBL16131588 0.81 ST6GAL1 (0.40) NT5EST6GAL1LMNATHRBMTOR
SCHEMBL7035981 0.81 NT5E (0.36) NT5EST6GAL1LMNATHRBMTOR
SCHEMBL7037107 0.79 NT5E (0.44) NT5EALDH1A1POLBMEN1USP2
SCHEMBL7162036 0.79 MEN1 (0.38) NT5ELMNAALDH1A1POLBMEN1
SCHEMBL7162040 0.79 RNASE1 (0.47) NT5ELMNAALDH1A1POLBMEN1

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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