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SCHEMBL17529313

SCHEMBL17529313

COc1cc2c(c(OC)c1OC)-c1ccc(NC(=O)CN3C(=O)[C@@H](NC(=O)[C@H](Cc4ccc(O)cc4)NC(=O)[C@H](CCC4=CC=CCC4)NC(=O)CNC(=O)[C@H](CCCNC(N)=O)NC(=O)[C@@H]4CCCN4C(=O)[C@H](CCC(=O)O)NC(=O)CCNC(=S)Nc4ccc5c(c4)C(=O)OC54c5ccc(O)cc5Oc5cc(O)ccc54)CC3C)c(=O)cc1[C@@H](NC(C)=O)CC2

nearest known ligand 0.40

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
▸ TSG101 Q99816 14/20 0.40
▸ PRMT5 O14744 5/20 0.39
▸ WDR77 Q9BQA1 5/20 0.39
▸ CTNNB1 P35222 1/20 0.39

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
SCHEMBL7923683 0.91 TSG101 (0.43) TSG101PRMT5WDR77
SCHEMBL16904936 0.88 TSG101 (0.46) TSG101PRMT5WDR77
SCHEMBL22958046 0.86 TSG101 (0.46) TSG101PRMT5WDR77
SCHEMBL17529589 0.85 TSG101 (0.39) TSG101PRMT5WDR77
SCHEMBL7917872 0.82 ESR1 (0.40) PRMT5WDR77
SCHEMBL11912054 0.79 ESR1 (0.41) PRMT5WDR77
SCHEMBL22958041 0.76 TSG101 (0.53) TSG101PRMT5WDR77
SCHEMBL12122107 0.74 TSG101 (0.54) TSG101PRMT5WDR77
SCHEMBL15828661 0.74 TSG101 (0.55) TSG101PRMT5WDR77
SCHEMBL19365089 0.72 TSG101 (0.56) TSG101PRMT5WDR77

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-2134372-B1 MMP ACTIVATED VASCULAR DISRUPTING AGENTS INCANTHERA LTD (GB) 2016-02-24 — — EP disclosed