SCHEMBL9848615

CC(C)C[C@H](NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CC(N)=O)NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@](C)(Cc1ccccc1)NC(=O)OCC1c2ccccc2-c2ccccc21)C(C)C)C(C)C)C(=O)O

nearest known ligand 0.50

Predicted protein targets (top 5)

	gene	UniProt	supporting neighbours	confidence
▸	GRB2	P62993	1/20	0.50

▸	CASP3	P42574	2/20	0.46

▸	BACE1	P56817	12/20	0.45

▸	PTPN1	P18031	4/20	0.44

▸	BACE2	Q9Y5Z0	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
SCHEMBL9848652	0.80	BACE1 (0.55)	CASP3BACE1BACE2
SCHEMBL30771372	0.79	PTPN1 (0.58)	GRB2CASP3BACE1PTPN1BACE2
SCHEMBL15006481	0.78	PTPN1 (0.53)	GRB2CASP3PTPN1
SCHEMBL29417902	0.77	CASP3 (0.62)	CASP3PTPN1
SCHEMBL14046951	0.77	PTPN1 (0.53)	GRB2CASP3PTPN1
SCHEMBL29709561	0.76	CASP3 (0.70)	CASP3
SCHEMBL30096349	0.76	CASP3 (0.54)	CASP3PTPN1
SCHEMBL31597661	0.75	PTPN1 (0.54)	GRB2CASP3PTPN1
SCHEMBL29505149	0.75	CASP3 (0.56)	CASP3PTPN1
SCHEMBL13462127	0.75	CASP3 (0.59)	CASP3PTPN1

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
EP-0438873-A1	Inhibitor of ribonucleotide reductase of herpes viruses	MERCK & CO. INC. (US)	1991-07-31	—	—	EP	disclosed