SCHEMBL28564327

CC(C)C[C@H](NC(=O)[C@H](CCCNC(=N)N)NC(=O)c1ccc2c(c1)C(=O)OC21c2ccc(O)cc2Oc2cc(O)ccc21)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N(CC(=O)O)C(=O)CN

nearest known ligand 0.48

Predicted protein targets (top 12)

	gene	UniProt	supporting neighbours	confidence
▸	ALB	P02768	1/20	0.48

▸	ESR1	P03372	3/20	0.42

▸	NAALAD2	Q9Y3Q0	1/20	0.41

▸	PGR	P06401	1/20	0.41

▸	VDR	P11473	1/20	0.41

▸	ESR2	Q92731	1/20	0.41

▸	NPY4R	P50391	12/20	0.40

▸	NPY1R	P25929	9/20	0.40

▸	NPY5R	Q15761	8/20	0.40

▸	NPY2R	P49146	5/20	0.40

▸	MDM2	Q00987	1/20	0.38

▸	FTO	Q9C0B1	1/20	0.38

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.

Compound	similarity	top predicted	shared targets
SCHEMBL31065620	0.86	ALB (0.52)	ALBESR1NAALAD2PGRVDR
SCHEMBL28564330	0.86	ALB (0.52)	ALBESR1NAALAD2PGRVDR
SCHEMBL25660795	0.73	ALB (0.65)	ALBNAALAD2FTO
SCHEMBL24943524	0.73	ALB (0.56)	ALBNAALAD2FTO
SCHEMBL14769921	0.72	ALB (0.65)	ALBNAALAD2FTO
SCHEMBL12914871	0.72	ALB (0.67)	ALBNAALAD2FTO
SCHEMBL14769917	0.71	ALB (0.57)	ALBNAALAD2FTO
SCHEMBL14144739	0.71	ALB (0.51)	ALBESR1NAALAD2MDM2FTO
SCHEMBL14295942	0.71	ALB (0.64)	ALBNAALAD2FTO
SCHEMBL14773223	0.70	ALB (0.55)	ALBNAALAD2FTO

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.

Patent	Title	Assignee	Published	Priority	Filing	Country	Status
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