Aleplasinin

SCHEMBL3948739

CCCCn1cc(C(=O)C(=O)O)c2cc(-c3ccc(C(F)(F)F)cc3)ccc21.CCCCn1cc(C(=O)C(=O)O)c2cc(-c3ccc(OC)cc3)ccc21.Cc1cccc(-c2ccc3c(c2)c(C(=O)C(=O)O)cn3Cc2ccc(C(C)(C)C)cc2)c1

nearest known ligand 0.70

Full drug profile on Sugi Atlas →

Known targets — ChEMBL curated mechanism

SERPINE1

The experimentally established mechanism targets of Aleplasinin. The predicted profile below is derived independently by chemical similarity — agreement is a validation signal, a miss is honest.

Predicted protein targets (top 2)

	gene	UniProt	supporting neighbours	confidence
▸	SERPINE1 known ✓	P05121	9/20	0.70

▸	ICMT	O60725	11/20	0.48

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
Aleplasinin SCHEMBL3861891	0.84	SERPINE1 (1.00)	SERPINE1ICMT
Aleplasinin SCHEMBL29377702	0.84	SERPINE1 (1.00)	SERPINE1ICMT
SCHEMBL3954958	0.81	SERPINE1 (1.00)	SERPINE1ICMT
SCHEMBL3867557	0.81	SERPINE1 (0.55)	SERPINE1ICMT
SCHEMBL3959224	0.80	SERPINE1 (0.53)	SERPINE1ICMT
SCHEMBL3856806	0.79	SERPINE1 (0.49)	SERPINE1ICMT
SCHEMBL4752947	0.78	SERPINE1 (1.00)	SERPINE1ICMT
SCHEMBL3858380	0.78	SERPINE1 (0.86)	SERPINE1ICMT
SCHEMBL3857831	0.77	SERPINE1 (0.66)	SERPINE1ICMT
SCHEMBL3948740	0.76	SERPINE1 (0.82)	SERPINE1ICMT

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-2010171-A2	INHIBITORS OF PAI-1 FOR TREATMENT OF MUSCULAR CONDITIONS	Wyeth a Corporation of the State of Delaware (US)	2009-01-07	—	—	EP	disclosed
WO-2007098278-A2	INHIBITORS OF PAI-1 FOR TREATMENT OF MUSCULAR CONDITIONS	WYETH (US)	2007-08-30	—	—	WO	disclosed