SCHEMBL12435235

C=CCCCCC[C@H](NC(=O)OC(C)(C)C)C(=O)N1C[C@H](OC(=O)N2Cc3cc4c(cc3C2)OCCO4)C[C@H]1C(=O)N[C@]1(C2OC(C)O2)C[C@H]1C=C

nearest known ligand 0.33

Predicted protein targets (top 4)

	gene	UniProt	supporting neighbours	confidence
▸	CYP3A4	P08684	1/20	0.33

▸	HDAC1	Q13547	2/20	0.31

▸	HDAC8	Q9BY41	1/20	0.31

▸	HDAC4	P56524	1/20	0.31

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
SCHEMBL12435231	0.97	CYP3A4 (0.33)	CYP3A4HDAC1HDAC8HDAC4
SCHEMBL12435229	0.91	CYP3A4 (0.31)	CYP3A4
SCHEMBL12435241	0.89	CYP3A4 (0.32)	CYP3A4
SCHEMBL12401332	0.88	CYP3A4 (0.34)	CYP3A4HDAC1HDAC8HDAC4
SCHEMBL15478253	0.86	CYP3A4 (0.37)	CYP3A4HDAC1HDAC8
SCHEMBL12401328	0.86	CYP3A4 (0.34)	CYP3A4HDAC1HDAC8HDAC4
SCHEMBL12401343	0.85	CYP3A4 (0.34)	CYP3A4HDAC1HDAC8HDAC4
SCHEMBL12401281	0.85	TGM2 (0.33)	HDAC1HDAC8HDAC4
SCHEMBL12435234	0.84	—	—
SCHEMBL15478235	0.84	CYP3A4 (0.37)	CYP3A4

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-2011091757-A1	POLYHETEROCYCLIC COMPOUNDS HIGHLY POTENT AS HCV INHIBITORS	AB Pharma Ltd. (CN)	2011-08-04	—	—	WO	disclosed