SCHEMBL30495681

CC(C)[C@H](N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)NCC(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CC(N)=O)C(=O)O

nearest known ligand 0.52

Predicted protein targets (top 9)

	gene	UniProt	supporting neighbours	confidence
▸	TFPI	P10646	1/20	0.52

▸	CD40	P25942	2/20	0.49

▸	IL23R	Q5VWK5	2/20	0.47

▸	CHRND	Q07001	5/20	0.46

▸	CHRNA1	P02708	1/20	0.46

▸	CHRNG	P07510	1/20	0.46

▸	CHRNB1	P11230	1/20	0.46

▸	BACE1	P56817	3/20	0.46

▸	CCKBR	P32239	1/20	0.45

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
SCHEMBL30168728	0.88	TFPI (0.58)	TFPI
SCHEMBL30825056	0.88	OPRL1 (0.54)	TFPIIL23R
SCHEMBL30861917	0.86	TFPI (0.61)	TFPI
SCHEMBL30350802	0.86	OPRD1 (0.53)	IL23RCCKBR
SCHEMBL30037959	0.85	NPY4R (0.61)	BACE1
SCHEMBL30273402	0.85	OPRD1 (0.53)	TFPICCKBR
SCHEMBL30257939	0.85	OPRD1 (0.47)	CCKBR
SCHEMBL30471367	0.84	NPY4R (0.54)	TFPI
SCHEMBL31257035	0.84	OPRD1 (0.52)	CD40
SCHEMBL30274538	0.84	OPRD1 (0.51)	BACE1

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
US-20230190887-A1	TARGETING G3BP AGGREGATION TO PREVENT NEURODEGENERATION	UNIVERSITY OF SOUTH CAROLINA (US)	2023-06-22	—	—	US	disclosed