SCHEMBL587197

CC(C)(C)c1cc(C[C@@H]2C[C@@H](c3cc(=O)[nH]o3)CCN2)cc(C(C)(C)C)c1.COC(=O)N1CCC(c2cc(=O)[nH]o2)CC1Cc1cc(C(C)(C)C)cc(C(C)(C)C)c1

nearest known ligand 0.50

Predicted protein targets (top 4)

	gene	UniProt	supporting neighbours	confidence
▸	PLG	P00747	13/20	0.50

▸	GABRA1	P14867	1/20	0.33

▸	GABRG2	P18507	1/20	0.33

▸	GABRB3	P28472	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
SCHEMBL3078613	0.93	PLG (0.41)	PLGGABRA1GABRG2GABRB3
SCHEMBL3073953	0.93	PLG (0.41)	PLGGABRA1GABRG2GABRB3
SCHEMBL582088	0.93	PLG (0.41)	PLGGABRA1GABRG2GABRB3
SCHEMBL582272	0.93	PLG (0.41)	PLGGABRA1GABRG2GABRB3
SCHEMBL586957	0.86	PLG (0.56)	PLGGABRA1GABRG2GABRB3
SCHEMBL586956	0.86	PLG (0.56)	PLGGABRA1GABRG2GABRB3
SCHEMBL586955	0.86	PLG (0.56)	PLGGABRA1GABRG2GABRB3
SCHEMBL580880	0.85	PLG (0.41)	PLG
SCHEMBL581973	0.85	PLG (0.41)	PLG
SCHEMBL587277	0.85	PLG (0.41)	PLG

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-2417131-A1	ISOXAZOL-3(2H)-ONE ANALOGS AS THERAPEUTIC AGENTS	AstraZeneca AB (SE)	2012-02-15	—	—	EP	disclosed
WO-2010117323-A1	METHOD AND APPARATUS FOR PRODUCING HEAT ENERGY AND CARBON DIOXIDE	ASTRAZENECA AB (SE)	2010-10-14	—	—	WO	disclosed