Sugi Predict

Sugi Predict / Compounds / SCHEMBL7917872

SCHEMBL7917872

SCHEMBL7917872

COc1cc2c(c(OC)c1OC)-c1ccc(NC(=O)[C@H](Cc3ccc(O)cc3)N3C(=O)[C@@H](NC(=O)[C@H](Cc4ccc(O)cc4)NC(=O)[C@H](CCc4ccccc4)NC(=O)CNC(=O)[C@H](CCCNC(N)=O)NC(=O)[C@H](CO)NC(=O)[C@H](CCCNC(=N)N)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 9)

geneUniProtsupporting neighboursconfidence
▸ ESR1 P03372 2/20 0.40
▸ PGR P06401 2/20 0.40
▸ ESR2 Q92731 2/20 0.40
▸ PRMT5 O14744 6/20 0.38
▸ WDR77 Q9BQA1 6/20 0.38
▸ VDR P11473 1/20 0.37
▸ YWHAZ P63104 7/20 0.36
▸ NAALAD2 Q9Y3Q0 2/20 0.35
▸ FOLH1 Q04609 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
SCHEMBL11912054 0.93 ESR1 (0.41) ESR1PGRESR2PRMT5WDR77
SCHEMBL7923683 0.91 TSG101 (0.43) PRMT5WDR77
SCHEMBL17529589 0.85 TSG101 (0.39) PRMT5WDR77
SCHEMBL16904936 0.84 TSG101 (0.46) PRMT5WDR77
SCHEMBL17529313 0.82 TSG101 (0.40) PRMT5WDR77
SCHEMBL22958046 0.80 TSG101 (0.46) PRMT5WDR77
SCHEMBL20647847 0.78 NAALAD2 (0.50) ESR1PGRESR2PRMT5WDR77
SCHEMBL12122167 0.77 NAALAD2 (0.49) ESR1PGRESR2PRMT5WDR77
SCHEMBL22958014 0.74 ESR1 (0.47) ESR1PGRESR2PRMT5WDR77
SCHEMBL15828667 0.72 ESR1 (0.51) ESR1PGRESR2PRMT5WDR77

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2010046628-A1 COMPOUNDS UNIVERSITY OF BRADFORD (GB) 2010-04-29 — — WO disclosed
WO-2008125800-A2 MMP ACTIVATED VASCULAR DISRUPTING AGENTS UNIVERSITY OF BRADFORD (GB) 2008-10-23 — — WO disclosed