SCHEMBL6546254

CCCCCCCC(N)(Cc1cccc(SC(C)(C)C(=O)O)c1)C(=O)CCc1ccccc1.CCCCCCCN(CCc1cccc(SC(C)(C)C(=O)OC(C)(C)C)c1)C(=O)CCc1ccccc1

nearest known ligand 0.40

Predicted protein targets (top 12)

	gene	UniProt	supporting neighbours	confidence
▸	PPARA	Q07869	6/20	0.40

▸	PPARG	P37231	5/20	0.40

▸	PPARD	Q03181	2/20	0.40

▸	CA12	O43570	4/20	0.37

▸	CA1	P00915	4/20	0.37

▸	CA2	P00918	4/20	0.37

▸	CA4	P22748	3/20	0.37

▸	DRD2	P14416	1/20	0.33

▸	OPRM1	P35372	1/20	0.33

▸	DRD3	P35462	1/20	0.33

▸	OPRD1	P41143	1/20	0.33

▸	OPRK1	P41145	1/20	0.33

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
SCHEMBL6359283	0.89	CA12 (0.43)	PPARAPPARGPPARDCA12CA1
SCHEMBL6360658	0.84	PPARA (0.51)	PPARAPPARGPPARDCA12CA1
SCHEMBL7596464	0.72	PPARA (0.46)	PPARAPPARGPPARDCA12CA1
SCHEMBL6356266	0.69	PPARG (0.68)	PPARAPPARGPPARD
SCHEMBL6363253	0.69	PPARA (0.57)	PPARAPPARGPPARDCA12CA1
SCHEMBL6358534	0.68	PPARA (0.56)	PPARAPPARGPPARD
SCHEMBL6356406	0.68	PPARA (0.45)	PPARAPPARGPPARD
SCHEMBL6360557	0.68	CYP2D6 (0.44)	PPARAPPARG
SCHEMBL6359236	0.68	PPARA (0.56)	PPARAPPARGPPARD
SCHEMBL6359924	0.68	TRPV1 (0.51)	—

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-1372632-A1	PROLIFERATIVE ACTIVATOR RECEPTOR (PPAR) COMPOUNDS	Pfizer Products Inc. (US)	2004-01-02	—	—	EP	disclosed
WO-2002064130-A1	PROLIFERATIVE ACTIVATOR RECEPTOR (PPAR) COMPOUNDS	PFIZER PRODUCTS INC. (US)	2002-08-22	—	—	WO	disclosed