SCHEMBL29695562

CC(C)[C@H](NC(=O)[C@H](CO)NC(=O)[C@H](CC(=O)O)NC(=O)[C@@H](NC(=O)[C@@H](N)CO)C(C)C)C(=O)N[C@@H](CCC(=O)O)C(=O)NCC(=O)N[C@@H](CCC(=O)O)C(=O)NCC(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CCC(=O)O)C(=O)NCC(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CCC(=O)O)C(=O)O

nearest known ligand 0.46

Predicted protein targets (top 4)

	gene	UniProt	supporting neighbours	confidence
▸	BACE1	P56817	9/20	0.45

▸	BACE2	Q9Y5Z0	2/20	0.45

▸	CTSD	P07339	3/20	0.44

▸	ENPEP	Q07075	5/20	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
SCHEMBL29695558	0.95	BACE1 (0.43)	BACE1BACE2CTSD
SCHEMBL29695576	0.92	ENPEP (0.42)	BACE1BACE2CTSDENPEP
SCHEMBL29695472	0.91	BACE1 (0.46)	BACE1BACE2CTSD
SCHEMBL30099711	0.90	GLO1 (0.42)	ENPEP
SCHEMBL31400977	0.88	NMT1 (0.47)	BACE1BACE2CTSD
SCHEMBL29695595	0.88	PTPN1 (0.43)	BACE1CTSD
SCHEMBL30099532	0.88	GLO1 (0.45)	BACE1BACE2CTSD
SCHEMBL30099595	0.88	GLO1 (0.42)	ENPEP
SCHEMBL30099634	0.88	GLO1 (0.42)	ENPEP
SCHEMBL30596281	0.88	GNPAT (0.41)	ENPEP

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
EP-4267193-A1	IMPROVED CD30 TARGETING ANTIBODY DRUG CONJUGATES AND USES THEREOF	Ludwig-Maximilians-Universität München (DE)	2023-11-01	—	—	EP	disclosed
WO-2022136555-A1	IMPROVED CD30 TARGETING ANTIBODY DRUG CONJUGATES AND USES THEREOF	LUDWIG-MAXIMILIANS-UNIVERSITAET MUENCHEN (DE)	2022-06-30	—	—	WO	disclosed