SCHEMBL7162782

SCHEMBL7162782

C#C[C@@]1(OC(=O)c2ccccc2)[C@@H](COC(=O)c2ccccc2)O[C@@H](n2ccc(=O)[nH]c2=O)[C@@H]1OC(=O)c1ccccc1

nearest known ligand 0.47

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ NT5E P21589 2/20 0.47
▸ POLB P06746 2/20 0.43
▸ MEN1 O00255 1/20 0.43
▸ USP2 O75604 1/20 0.43
▸ KMT2A Q03164 1/20 0.43
▸ HSD17B10 Q99714 1/20 0.36
▸ P2RY2 P41231 10/20 0.36
▸ P2RY12 Q9H244 4/20 0.36
▸ P2RY6 Q15077 4/20 0.35
▸ P2RY14 Q15391 1/20 0.35
▸ SLC28A1 O00337 1/20 0.35
▸ SLC28A2 O43868 1/20 0.35
▸ SLC29A1 Q99808 1/20 0.35
▸ SLC28A3 Q9HAS3 1/20 0.35
▸ P2RY4 P51582 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
SCHEMBL7037107 0.95 NT5E (0.44) NT5EPOLBMEN1USP2KMT2A
SCHEMBL7035782 0.91 NT5E (0.41) NT5EPOLBMEN1USP2KMT2A
SCHEMBL7161171 0.90 NT5E (0.43) NT5EPOLBMEN1USP2KMT2A
SCHEMBL7161805 0.88 POLB (0.41) NT5EPOLBMEN1USP2KMT2A
SCHEMBL8427016 0.88 NT5E (0.39) NT5EPOLBMEN1USP2KMT2A
SCHEMBL7162040 0.86 RNASE1 (0.47) NT5EPOLBMEN1USP2KMT2A
SCHEMBL7162036 0.86 MEN1 (0.38) NT5EPOLBMEN1USP2KMT2A
SCHEMBL8426931 0.85 ALDH1A1 (0.38) NT5EPOLBMEN1USP2KMT2A
SCHEMBL15574462 0.84 POLB (0.45) NT5EPOLBMEN1USP2KMT2A
SCHEMBL18879906 0.84 POLB (0.45) NT5EPOLBMEN1USP2KMT2A

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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