SCHEMBL12428852

CC(OC(C)C(NC(=O)[C@H](CC(=O)O)NC(=O)[C@@H]1CCCN1C(=O)C(C)NC(=O)[C@H](CO)NC(=O)C(NC(=O)[C@@H](NC(=O)CNC(=O)[C@H](Cc1cnc[nH]1)NC(=O)CCC(=O)NCCOCCOCCNC(=O)CCCC[C@@H]1SC[C@@H]2NC(=O)N[C@@H]21)C(C)C)C(C)O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N1CCC[C@H]1C(=O)N[C@@H](C)C(=O)N1CCC[C@H]1C(=O)NCC(=O)NC(CO)C(=O)N[C@H](C(=O)NC(C)C(=O)N1CCC[C@H]1C(=O)N1CCCC1C(=O)N[C@@H](C)C(=O)N[C@H](Cc1cnc[nH]1)C(=O)NCC(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@@H](C)C=O)C(C)O)C(C)C)C(C)O)OC(CO)[C@H](O)CO

nearest known ligand 0.57

Predicted protein targets (top 3)

	gene	UniProt	supporting neighbours	confidence
▸	RAMP3	O60896	16/20	0.57

▸	CALCR	P30988	16/20	0.57

▸	CXCR4	P61073	4/20	0.52

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
SCHEMBL17209334	0.79	PLCG1 (0.44)	RAMP3CALCR
SCHEMBL17209387	0.79	PLCG1 (0.44)	RAMP3CALCR
SCHEMBL29380237	0.79	RAMP3 (0.68)	RAMP3CALCRCXCR4
SCHEMBL29351014	0.78	RAMP3 (0.63)	RAMP3CALCRCXCR4
SCHEMBL22550671	0.78	RAMP3 (0.53)	RAMP3CALCRCXCR4
SCHEMBL10018909	0.76	RAMP3 (0.46)	RAMP3CALCRCXCR4
SCHEMBL12984102	0.76	RAMP3 (0.66)	RAMP3CALCRCXCR4
SCHEMBL12984646	0.75	RAMP3 (0.63)	RAMP3CALCR
SCHEMBL13027243	0.74	RAMP3 (0.62)	RAMP3CALCRCXCR4
SCHEMBL19092708	0.72	RAMP3 (0.55)	RAMP3CALCR

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
EP-2351777-A1	ANTI-MUC1 ANTIBODY	Shionogi & Co., Ltd. (JP)	2011-08-03	—	—	EP	disclosed