SCHEMBL18948699

CC[C@H](C)[C@@H]([C@@H](CC(=O)N1CCC[C@H]1[C@H](OC)[C@@H](C)C(=O)N[C@@H](Cc1ccccc1)C(=O)NCCN(C)C)OC)N(C)C(=O)[C@@H](NC(=O)[C@H](C(C)C)N(C)SS)C(C)C

nearest known ligand 0.48

Predicted protein targets (top 8)

	gene	UniProt	supporting neighbours	confidence
▸	CYP3A4	P08684	1/20	0.43

▸	SSTR2	P30874	2/20	0.42

▸	FOLH1	Q04609	3/20	0.37

▸	TTR	P02766	2/20	0.36

▸	CTSD	P07339	6/20	0.34

▸	CTSE	P14091	6/20	0.34

▸	BACE1	P56817	4/20	0.34

▸	REN	P00797	1/20	0.34

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
SCHEMBL21538723	0.95	CYP3A4 (0.43)	CYP3A4SSTR2FOLH1TTRCTSD
SCHEMBL2759936	0.94	CYP3A4 (0.43)	CYP3A4SSTR2FOLH1TTRCTSD
SCHEMBL15047595	0.94	CYP3A4 (0.43)	CYP3A4SSTR2FOLH1TTRCTSD
SCHEMBL19976520	0.93	CYP3A4 (0.42)	CYP3A4SSTR2FOLH1TTRCTSD
SCHEMBL23967978	0.93	CYP3A4 (0.43)	CYP3A4SSTR2FOLH1TTRCTSD
SCHEMBL18807749	0.93	CYP3A4 (0.43)	CYP3A4SSTR2FOLH1TTRCTSD
SCHEMBL10305563	0.93	CYP3A4 (0.43)	CYP3A4SSTR2FOLH1TTRCTSD
SCHEMBL10285897	0.93	CYP3A4 (0.43)	CYP3A4SSTR2FOLH1TTRCTSD
SCHEMBL13838247	0.93	CYP3A4 (0.43)	CYP3A4SSTR2FOLH1TTRCTSD
SCHEMBL20075905	0.93	CYP3A4 (0.43)	CYP3A4SSTR2FOLH1TTRCTSD

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
US-9675707-B2	Anti-TAT226 antibodies and immunoconjugates	GENENTECH, INC. (US)	2017-06-13	—	—	US	disclosed