SCHEMBL20281115

SCHEMBL20281115

COc1cc2oc(=O)cc(C[C@H](NC(=O)OCC3c4ccccc4-c4ccccc43)C(=O)O)c2cc1OC

nearest known ligand 0.61

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ SLC17A5 Q9NRA2 1/20 0.61
▸ MEN1 O00255 1/20 0.46
▸ KMT2A Q03164 1/20 0.46
▸ MDM4 O15151 3/20 0.44
▸ TP53 P04637 3/20 0.44
▸ MDM2 Q00987 3/20 0.43
▸ CASP3 P42574 1/20 0.42
▸ TNF P01375 2/20 0.41

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
SCHEMBL5276812 0.89 SLC17A5 (0.64) SLC17A5MEN1KMT2AMDM4TP53
SCHEMBL5622852 0.89 SLC17A5 (0.64) SLC17A5MEN1KMT2AMDM4TP53
SCHEMBL5622471 0.89 SLC17A5 (0.64) SLC17A5MEN1KMT2AMDM4TP53
SCHEMBL14456737 0.86 SLC17A5 (0.80) SLC17A5MEN1KMT2AMDM4TP53
SCHEMBL5622589 0.86 SLC17A5 (0.80) SLC17A5MEN1KMT2AMDM4TP53
SCHEMBL29855217 0.81 MDM4 (0.52) SLC17A5MDM4TP53MDM2CASP3
SCHEMBL22444637 0.81 MDM4 (0.52) SLC17A5MDM4TP53MDM2CASP3
SCHEMBL17054258 0.81 MDM4 (0.52) SLC17A5MDM4TP53MDM2CASP3
SCHEMBL29557307 0.81 MDM4 (0.52) SLC17A5MDM4TP53MDM2CASP3
SCHEMBL5051765 0.80 SLC17A5 (0.58) SLC17A5MEN1KMT2AMDM4TP53

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
WO-2018107236-A1 NOVEL COMPOUNDS AS ANTI-MYCOBACTERIALS THE UNIVERSITY OF SYDNEY (AU) 2018-06-21 — — WO disclosed
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