SCHEMBL24036409

CC[C@H](C)[C@@H]([C@@H](CC(=O)N1CCC[C@H]1[C@H](OC)[C@@H](C)C(=O)NC(C)C(O)c1ccccc1)OC)N(C)C(=O)[C@@H](NC(=O)[C@H](C(C)C)N(C)C)C(C)C

nearest known ligand 0.55

Predicted protein targets (top 11)

	gene	UniProt	supporting neighbours	confidence
▸	SSTR2	P30874	2/20	0.46

▸	CYP3A4	P08684	1/20	0.42

▸	FOLH1	Q04609	3/20	0.42

▸	TTR	P02766	2/20	0.37

▸	KCNK3	O14649	1/20	0.32

▸	CTSD	P07339	6/20	0.31

▸	CTSE	P14091	6/20	0.31

▸	BACE1	P56817	4/20	0.31

▸	MMP9	P14780	1/20	0.31

▸	XIAP	P98170	1/20	0.31

▸	MLX	Q9UH92	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
SCHEMBL16580104	1.00	SSTR2 (0.46)	SSTR2CYP3A4FOLH1TTRKCNK3
SCHEMBL24047111	1.00	SSTR2 (0.46)	SSTR2CYP3A4FOLH1TTRKCNK3
SCHEMBL9892963	1.00	SSTR2 (0.46)	SSTR2CYP3A4FOLH1TTRKCNK3
SCHEMBL20800137	1.00	SSTR2 (0.46)	SSTR2CYP3A4FOLH1TTRKCNK3
SCHEMBL25295471	1.00	SSTR2 (0.46)	SSTR2CYP3A4FOLH1TTRKCNK3
SCHEMBL23900253	1.00	SSTR2 (0.46)	SSTR2CYP3A4FOLH1TTRKCNK3
SCHEMBL24092997	1.00	SSTR2 (0.46)	SSTR2CYP3A4FOLH1TTRKCNK3
SCHEMBL24047110	1.00	SSTR2 (0.46)	SSTR2CYP3A4FOLH1TTRKCNK3
SCHEMBL22661595	1.00	SSTR2 (0.46)	SSTR2CYP3A4FOLH1TTRKCNK3
SCHEMBL19387543	1.00	SSTR2 (0.46)	SSTR2CYP3A4FOLH1TTRKCNK3

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-2021231568-A1	METHODS OF TREATING CANCER USING A COMBINATION OF ANTI-CD30 ANTIBODY-DRUG CONJUGATES	SEAGEN INC. (US)	2021-11-18	—	—	WO	disclosed