SCHEMBL7162040

SCHEMBL7162040

C#C[C@@]1(OC(=O)c2ccccc2)[C@@H](COC(=O)c2ccccc2)O[C@@H](n2cc(C)c(=O)[nH]c2=O)[C@@H]1OC(=O)c1ccccc1

nearest known ligand 0.47

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ RNASE1 P07998 1/20 0.47
▸ TK1 P04183 4/20 0.41
▸ NT5E P21589 2/20 0.40
▸ ALDH1A1 P00352 2/20 0.40
▸ HTT P42858 1/20 0.40
▸ POLB P06746 2/20 0.38
▸ MEN1 O00255 1/20 0.38
▸ USP2 O75604 1/20 0.38
▸ KMT2A Q03164 1/20 0.38
▸ TYMP P19971 1/20 0.36
▸ LMNA P02545 1/20 0.35
▸ ALB P02768 1/20 0.35
▸ ADRA1A P35348 1/20 0.35
▸ BLM P54132 1/20 0.35
▸ GAPDH P04406 1/20 0.35
▸ TK2 O00142 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
SCHEMBL7162036 0.90 MEN1 (0.38) RNASE1TK1NT5EALDH1A1HTT
SCHEMBL7162782 0.86 NT5E (0.47) NT5EPOLBMEN1USP2KMT2A
SCHEMBL7037107 0.82 NT5E (0.44) NT5EALDH1A1POLBMEN1USP2
SCHEMBL8427016 0.80 NT5E (0.39) NT5EPOLBMEN1USP2KMT2A
SCHEMBL7158742 0.79 MEN1 (0.37) NT5EALDH1A1POLBMEN1USP2
SCHEMBL7157425 0.79 NT5E (0.40) NT5EALDH1A1HTTPOLBMEN1
SCHEMBL7165048 0.79 ALDH1A1 (0.36) NT5EALDH1A1HTTPOLBMEN1
SCHEMBL7035782 0.78 NT5E (0.41) NT5EPOLBMEN1USP2KMT2A
SCHEMBL7161171 0.78 NT5E (0.43) RNASE1NT5EALDH1A1POLBMEN1
SCHEMBL7161805 0.77 POLB (0.41) RNASE1NT5EALDH1A1POLBMEN1

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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