SCHEMBL8354091

COc1ccc2c(O[C@@H]3C[C@@H](C(=O)NC4(C(=O)O)CC45CC5)N(C(=O)[C@@H](NC(=O)OC(C)(C)C)C(C)(C)C)C3)cc(-c3ccccc3)nc2c1

nearest known ligand 0.50

Predicted protein targets (top 11)

	gene	UniProt	supporting neighbours	confidence
▸	CYP3A4	P08684	2/20	0.47

▸	CTSB	P07858	1/20	0.41

▸	PPP3CB	P16298	1/20	0.41

▸	ELANE	P08246	11/20	0.41

▸	ABCC1	P33527	1/20	0.37

▸	ABCC2	Q92887	1/20	0.37

▸	ABCG2	Q9UNQ0	1/20	0.37

▸	KDM4E	B2RXH2	1/20	0.37

▸	ALDH1A1	P00352	1/20	0.37

▸	SMN1; SMN2	Q16637	1/20	0.37

▸	TACR3	P29371	1/20	0.36

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
SCHEMBL4979313	1.00	CYP3A4 (0.47)	CYP3A4CTSBPPP3CBELANEABCC1
SCHEMBL5692578	0.98	CYP3A4 (0.46)	CYP3A4CTSBPPP3CBELANEABCC1
SCHEMBL5692629	0.93	CYP3A4 (0.46)	CYP3A4CTSBPPP3CBELANEABCC1
SCHEMBL5692632	0.92	CYP3A4 (0.58)	CYP3A4CTSB
SCHEMBL8353025	0.92	CYP3A4 (0.50)	CYP3A4CTSBPPP3CBELANEABCC1
SCHEMBL5692664	0.91	CYP3A4 (0.49)	CYP3A4CTSBPPP3CBELANEABCC1
SCHEMBL12891920	0.91	CYP3A4 (0.49)	CYP3A4CTSBPPP3CBELANEABCC1
SCHEMBL8354706	0.90	CYP3A4 (0.48)	CYP3A4CTSBPPP3CBELANEABCC1
SCHEMBL6308074	0.90	CYP3A4 (0.57)	CYP3A4CTSB
SCHEMBL5693284	0.90	CYP3A4 (0.57)	CYP3A4CTSB

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-2004043339-A2	SUBSTITUTED CYCLOALKYL P1' HEPATITIS C VIRUS INHIBITORS	BRISTOL-MYERS SQUIBB COMPANY (US)	2004-05-27	—	—	WO	disclosed