SCHEMBL20058768

SCHEMBL20058768

C[C@H]1[C@H](OC(=O)c2ccccc2)[C@@H](COC(=O)c2ccccc2)OC1(O)c1ccc2c(N)ncnn12

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 1/20 0.40
▸ POLB P06746 2/20 0.39
▸ MEN1 O00255 1/20 0.39
▸ USP2 O75604 1/20 0.39
▸ KMT2A Q03164 1/20 0.39
▸ ALDH1A1 P00352 1/20 0.36
▸ RIPK1 Q13546 2/20 0.35
▸ CA1 P00915 1/20 0.34
▸ CA2 P00918 1/20 0.34
▸ CA9 Q16790 1/20 0.34
▸ GAPDH P04406 2/20 0.34
▸ P2RX3 P56373 1/20 0.34
▸ P2RX4 Q99571 1/20 0.34
▸ P2RX2 Q9UBL9 1/20 0.34
▸ HRAS P01112 1/20 0.33
▸ TNK2 Q07912 2/20 0.32
▸ GAA P10253 1/20 0.32
▸ MAPK1 P28482 1/20 0.32
▸ NPSR1 Q6W5P4 1/20 0.32
▸ ENPP1 P22413 1/20 0.32

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
SCHEMBL18214662 0.90 MAPT (0.40) MAPTPOLBMEN1USP2KMT2A
SCHEMBL10171930 0.87 MAPT (0.41) MAPTPOLBMEN1USP2KMT2A
SCHEMBL882017 0.87 TMPRSS2 (0.39) MAPTPOLBMEN1USP2KMT2A
SCHEMBL18214621 0.80 TMPRSS2 (0.39) MAPTPOLBMEN1USP2KMT2A
SCHEMBL24791260 0.80 ALDH1A1 (0.36) MAPTPOLBMEN1USP2KMT2A
SCHEMBL17617320 0.80 ALDH1A1 (0.36) MAPTPOLBMEN1USP2KMT2A
SCHEMBL14996153 0.80 ALDH1A1 (0.36) MAPTPOLBMEN1USP2KMT2A
SCHEMBL881372 0.80 ALDH1A1 (0.36) MAPTPOLBMEN1USP2KMT2A
SCHEMBL10171966 0.79 ALDH1A1 (0.36) MAPTPOLBMEN1USP2KMT2A
SCHEMBL25914985 0.79 ALDH1A1 (0.38) ALDH1A1RIPK1TNK2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2906579-B1 2'-CHLORO NUCLEOSIDE ANALOGS FOR HCV INFECTION IDENIX PHARMACEUTICALS LLC (US) 2018-04-18 — — EP disclosed
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