Clobuzarit

SCHEMBL8700294

CC(C)(OCc1ccc(-c2ccc(Cl)cc2)cc1)C(=O)O.CC(C)(S)C(=O)N[C@@H](CS)C(=O)O.[NaH]

nearest known ligand 0.53

Predicted protein targets (top 12)

	gene	UniProt	supporting neighbours	confidence
▸	ACE	P12821	2/20	0.53

▸	MME	P08473	1/20	0.53

▸	ACE2	Q9BYF1	1/20	0.53

▸	PPARA	Q07869	5/20	0.45

▸	SLC16A3	O15427	3/20	0.44

▸	SLC16A1	P53985	2/20	0.44

▸	MCTS1	Q9ULC4	2/20	0.44

▸	GRN	P28799	1/20	0.43

▸	SORT1	Q99523	1/20	0.43

▸	ADAMTS5	Q9UNA0	1/20	0.41

▸	PPARG	P37231	2/20	0.40

▸	GPR34	Q9UPC5	1/20	0.40

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
Clobuzarit SCHEMBL187456	0.80	SLC16A3 (0.62)	PPARASLC16A3SLC16A1MCTS1PPARG
SCHEMBL2221138	0.72	SLC16A3 (0.53)	SLC16A3SLC16A1MCTS1PPARG
Bucillamine SCHEMBL121965	0.71	MAPT (0.59)	ACEMMEACE2GRNSORT1
Bucillamine SCHEMBL522713	0.71	MAPT (0.59)	ACEMMEACE2GRNSORT1
Bucillamine SCHEMBL5060887	0.71	MAPT (0.59)	ACEMMEACE2GRNSORT1
Bucillamine SCHEMBL930021	0.71	MAPT (0.59)	ACEMMEACE2GRNSORT1
SCHEMBL8073434	0.68	ACE (0.45)	ACEMMEACE2PPARAADAMTS5
SCHEMBL3722245	0.66	PPARA (0.61)	ACEMMEACE2PPARAPPARG
SCHEMBL22009950	0.66	PPARA (0.61)	ACEMMEACE2PPARAPPARG
SCHEMBL3722240	0.66	PPARA (0.61)	ACEMMEACE2PPARAPPARG

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-1998022114-A1	A METHOD FOR PROMOTING TISSUE REPAIR	DUMEX-ALPHARMA A/S (DK)	1998-05-28	—	—	WO	disclosed