SCHEMBL7158742

SCHEMBL7158742

C#C[C@@]1(OC(=O)c2ccccc2)[C@@H](COC(=O)c2ccccc2)O[C@@H](n2c(=O)cc[nH]c2=O)[C@@H]1OC(=O)c1ccccc1

nearest known ligand 0.37

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ MEN1 O00255 1/20 0.37
▸ USP2 O75604 1/20 0.37
▸ POLB P06746 1/20 0.37
▸ KMT2A Q03164 1/20 0.37
▸ ALDH1A1 P00352 2/20 0.32
▸ PPM1B O75688 1/20 0.32
▸ NT5E P21589 1/20 0.32
▸ CES2 O00748 1/20 0.31
▸ NPC1 O15118 1/20 0.31
▸ HRAS P01112 1/20 0.30
▸ GAPDH P04406 1/20 0.30

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
SCHEMBL7162782 0.82 NT5E (0.47) MEN1USP2POLBKMT2ANT5E
SCHEMBL7162036 0.79 MEN1 (0.38) MEN1USP2POLBKMT2AALDH1A1
SCHEMBL7162040 0.79 RNASE1 (0.47) MEN1USP2POLBKMT2AALDH1A1
SCHEMBL7037107 0.78 NT5E (0.44) MEN1USP2POLBKMT2AALDH1A1
SCHEMBL7157425 0.78 NT5E (0.40) MEN1USP2POLBKMT2AALDH1A1
SCHEMBL7164410 0.76 ALDH1A1 (0.40) MEN1USP2POLBKMT2AALDH1A1
SCHEMBL7165048 0.76 ALDH1A1 (0.36) MEN1USP2POLBKMT2AALDH1A1
SCHEMBL7161077 0.75 ALDH1A1 (0.39) ALDH1A1NPC1
SCHEMBL26801671 0.74 MEN1 (0.62) MEN1USP2POLBKMT2AALDH1A1
SCHEMBL7038066 0.73 MEN1 (0.41) MEN1POLBKMT2AALDH1A1GAPDH

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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