SCHEMBL24627014

CCCCC(=O)/N=C/C1CSCc2cc(CSCCNC(=O)CN3CCN(CC(=O)O)CCN(CC(=O)O)CCN(CC(=O)O)CC3)cc(c2)CSC[C@@H](C(=O)O)NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](CC)NC(=O)[C@@H]2CCCN2C(=O)[C@@H]2CCCN2C1=O

nearest known ligand 0.47

Predicted protein targets (top 8)

	gene	UniProt	supporting neighbours	confidence
▸	EHD1	Q9H4M9	5/20	0.47

▸	NMUR2	Q9GZQ4	1/20	0.46

▸	NMUR1	Q9HB89	1/20	0.46

▸	SLC40A1	Q9NP59	7/20	0.43

▸	PLAU	P00749	1/20	0.43

▸	KLKB1	P03952	5/20	0.43

▸	ALB	P02768	1/20	0.41

▸	KLK5	Q9Y337	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
SCHEMBL24627021	0.95	EHD1 (0.46)	EHD1NMUR2NMUR1SLC40A1PLAU
SCHEMBL24627034	0.95	EHD1 (0.46)	EHD1NMUR2NMUR1SLC40A1PLAU
SCHEMBL24627355	0.94	EHD1 (0.47)	EHD1NMUR2NMUR1SLC40A1PLAU
SCHEMBL24627043	0.94	EHD1 (0.46)	EHD1NMUR2NMUR1SLC40A1PLAU
SCHEMBL24626949	0.94	EHD1 (0.45)	EHD1NMUR2NMUR1SLC40A1PLAU
SCHEMBL24627071	0.94	EHD1 (0.45)	EHD1NMUR2NMUR1SLC40A1PLAU
SCHEMBL24626979	0.92	NMUR2 (0.48)	EHD1NMUR2NMUR1SLC40A1PLAU
SCHEMBL25798034	0.86	KLK5 (0.53)	EHD1NMUR2NMUR1SLC40A1PLAU
SCHEMBL25799125	0.85	KLKB1 (0.50)	EHD1NMUR2NMUR1SLC40A1PLAU
SCHEMBL24627337	0.85	NMUR2 (0.47)	EHD1NMUR2NMUR1SLC40A1PLAU

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
WO-2022148843-A1	COMPOUNDS COMPRISING A FIBROBLAST ACTIVATION PROTEIN LIGAND AND USE THEREOF	3B PHARMACEUTICALS GMBH (DE)	2022-07-14	—	—	WO	disclosed