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SCHEMBL28564330

SCHEMBL28564330

CC(C)CC(NC(=O)C(CCCNC(=N)N)NC(=O)c1ccc2c(c1)C(=O)OC21c2ccc(O)cc2Oc2cc(O)ccc21)C(=O)NC(CCCNC(=N)N)C(=O)NCC(=O)NCC(=O)O

nearest known ligand 0.52

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ ALB P02768 1/20 0.52
▸ ESR1 P03372 4/20 0.48
▸ PGR P06401 2/20 0.44
▸ ESR2 Q92731 2/20 0.44
▸ VDR P11473 1/20 0.44
▸ NPY4R P50391 12/20 0.44
▸ NPY5R Q15761 8/20 0.44
▸ NPY1R P25929 7/20 0.44
▸ NPY2R P49146 5/20 0.44
▸ NAALAD2 Q9Y3Q0 1/20 0.43
▸ MDM2 Q00987 1/20 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
SCHEMBL31065620 1.00 ALB (0.52) ALBESR1PGRESR2VDR
SCHEMBL28564327 0.86 ALB (0.48) ALBESR1PGRESR2VDR
SCHEMBL31065631 0.76 NPY4R (0.49) NPY4RNPY5RNPY1RNPY2R
SCHEMBL28566021 0.76 NPY4R (0.49) NPY4RNPY5RNPY1RNPY2R
SCHEMBL28566023 0.76 NPY4R (0.49) NPY4RNPY5RNPY1RNPY2R
SCHEMBL25888213 0.75 ESR1 (0.49) ALBESR1PGRESR2VDR
SCHEMBL25660795 0.75 ALB (0.65) ALBNAALAD2
SCHEMBL25888233 0.75 ESR1 (0.51) ALBESR1PGRESR2VDR
SCHEMBL24943524 0.75 ALB (0.56) ALBNAALAD2
SCHEMBL14769921 0.74 ALB (0.65) ALBNAALAD2

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
CN-112794878-A Deubiquitinase activity probe and preparation and application thereof 中国科学院上海有机化学研究所 2021-05-14 — — CN disclosed