SCHEMBL31065620

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)NCC(=O)NCC(=O)O

nearest known ligand 0.52

Predicted protein targets (top 11)

	gene	UniProt	supporting neighbours	confidence
▸	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.

Compound	similarity	top predicted	shared targets
SCHEMBL28564330	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.

Patent	Title	Assignee	Published	Priority	Filing	Country	Status
CN-112794878-B	Deubiquitinase activity probe and preparation and application thereof	中国科学院上海有机化学研究所	2024-08-16	—	—	CN	disclosed