SCHEMBL6671200

CCOC(=O)/C(C)=C/[C@H](C(C)C)N(C(=O)[C@@H](NC)C(C)(C)c1cc(C(F)(F)F)cc(C(F)(F)F)c1)[C@H](C(=O)NC)C(C)(C)C

nearest known ligand 0.37

Predicted protein targets (top 10)

	gene	UniProt	supporting neighbours	confidence
▸	TUBB1	Q9H4B7	2/20	0.37

▸	NPSR1	Q6W5P4	1/20	0.35

▸	GAA	P10253	2/20	0.33

▸	MAPT	P10636	2/20	0.33

▸	ATM	Q13315	2/20	0.33

▸	ALOX12	P18054	1/20	0.33

▸	SMN1; SMN2	Q16637	1/20	0.33

▸	GPR35	Q9HC97	1/20	0.33

▸	ALDH1A1	P00352	1/20	0.33

▸	HPGD	P15428	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
SCHEMBL6672372	0.89	TUBB1 (0.38)	TUBB1GAAMAPTATMALOX12
SCHEMBL6671859	0.86	TUBB1 (0.44)	TUBB1NPSR1GAAMAPTSMN1; SMN2
SCHEMBL6674339	0.85	TUBB1 (0.38)	TUBB1
SCHEMBL6258931	0.83	TUBB1 (0.34)	TUBB1
SCHEMBL6671195	0.81	TUBB1 (0.58)	TUBB1NPSR1GAAMAPTATM
SCHEMBL6672752	0.81	TUBB1 (0.58)	TUBB1NPSR1GAAMAPTATM
SCHEMBL6799864	0.75	TUBB1 (0.57)	TUBB1NPSR1GAAMAPTATM
SCHEMBL6801981	0.75	TUBB1 (0.57)	TUBB1NPSR1GAAMAPTATM
SCHEMBL6670376	0.73	TUBB1 (0.61)	TUBB1
SCHEMBL6671010	0.73	TUBB1 (0.61)	TUBB1

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-2004026293-A2	HEMIASTERLIN DERIVATIVES FOR TREATING RESISTANT TUMORS	WYETH HOLDINGS CORPORATION (US)	2004-04-01	—	—	WO	disclosed