SCHEMBL22384286

CCCCCCCOc1ccc(-c2cnc(-c3ccc(C[C@H](NC(=O)c4ccc(C(C)(C)C)cc4)C(=O)N4C[C@H](O)C[C@@H]4CO)cc3)nc2)cc1

nearest known ligand 0.39

Predicted protein targets (top 13)

	gene	UniProt	supporting neighbours	confidence
▸	PPARG	P37231	3/20	0.39

▸	PPARA	Q07869	1/20	0.39

▸	PLG	P00747	1/20	0.39

▸	HRH2	P25021	2/20	0.38

▸	HRH1	P35367	2/20	0.38

▸	ITGB1	P05556	4/20	0.38

▸	ITGA4	P13612	4/20	0.38

▸	ITGB3	P05106	4/20	0.37

▸	ITGA2B	P08514	4/20	0.37

▸	GCGR	P47871	1/20	0.36

▸	TAOK3	Q9H2K8	1/20	0.36

▸	SLC6A5	Q9Y345	1/20	0.36

▸	RARB	P10826	1/20	0.35

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
SCHEMBL16305672	0.90	ACE (0.42)	PPARGPPARAPLGHRH2HRH1
SCHEMBL16305664	0.90	ACE (0.42)	PPARGPPARAPLGHRH2HRH1
SCHEMBL16305673	0.90	ACE (0.42)	PPARGPPARAPLGHRH2HRH1
SCHEMBL16305678	0.90	ACE (0.42)	PPARGPPARAPLGHRH2HRH1
SCHEMBL16306053	0.85	HRH2 (0.40)	PPARGPPARAPLGHRH2HRH1
SCHEMBL16306192	0.85	S1PR5 (0.41)	PPARGPPARAPLGHRH2HRH1
SCHEMBL20900652	0.85	PLG (0.40)	PPARGPPARAPLGHRH2HRH1
SCHEMBL16305676	0.84	PPARG (0.42)	PPARGPPARAPLGHRH2HRH1
SCHEMBL16305690	0.84	MCL1 (0.41)	PPARGPPARAPLGHRH2HRH1
SCHEMBL16305927	0.84	MCL1 (0.40)	PPARGPPARAPLGHRH2HRH1

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
EP-3230276-B1	GLP-1 RECEPTOR MODULATORS	CELGENE INT II SARL (CH)	2020-09-02	—	—	EP	disclosed