SCHEMBL10423889

CC(C)[C@H](N)C(=O)N[C@H](C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@H](C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](Cc1c[nH]cn1)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@H](C(=O)O)[C@@H](C)O)C(C)C)[C@@H](C)O

nearest known ligand 0.48

Predicted protein targets (top 6)

	gene	UniProt	supporting neighbours	confidence
▸	BACE1	P56817	15/20	0.48

▸	CTSD	P07339	1/20	0.44

▸	CALCRL	Q16602	2/20	0.43

▸	BACE2	Q9Y5Z0	1/20	0.42

▸	CASP3	P42574	1/20	0.42

▸	CASP7	P55210	1/20	0.42

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
SCHEMBL10423887	1.00	BACE1 (0.48)	BACE1CTSDCALCRLBACE2CASP3
SCHEMBL30449279	0.87	BACE1 (0.51)	BACE1
SCHEMBL28964063	0.87	BACE1 (0.59)	BACE1CTSDBACE2
SCHEMBL30637767	0.87	BACE1 (0.59)	BACE1CTSDBACE2
SCHEMBL30788325	0.85	BACE1 (0.38)	BACE1CTSDBACE2CASP3CASP7
SCHEMBL30763285	0.85	BACE1 (0.57)	BACE1CTSDBACE2
SCHEMBL30312024	0.85	GLP1R (0.41)	BACE1CTSDBACE2
SCHEMBL12873177	0.84	CALCRL (0.37)	BACE1CALCRLBACE2CASP3CASP7
SCHEMBL2742710	0.84	CALCRL (0.37)	BACE1CALCRLBACE2CASP3CASP7
SCHEMBL30738394	0.84	BACE1 (0.41)	BACE1CTSDCASP3CASP7

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.

Patent	Title	Assignee	Published	Priority	Filing	Country	Status
US-4917999-A	HYBRIDIZATION OF OLIGONUCLEOTIDES	MILES INC. (US)	1990-04-17	—	—	US	disclosed
EP-0258742-A2	Oligonucleotide probes for detection of amylase genes	MILES INC. (US)	1988-03-09	—	—	EP	disclosed