SCHEMBL9436274

CC(C)[C@H](NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@H](CCC(=O)O)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CCCCN)NC(=O)[C@H](C)N)[C@@H](C)O)C(C)C)C(=O)O

nearest known ligand 0.54

Predicted protein targets (top 11)

	gene	UniProt	supporting neighbours	confidence
▸	CALCRL	Q16602	3/20	0.45

▸	RAMP3	O60896	3/20	0.43

▸	CALCR	P30988	3/20	0.43

▸	PTPN1	P18031	1/20	0.42

▸	NTSR1	P30989	4/20	0.42

▸	NTSR2	O95665	3/20	0.42

▸	GRB2	P62993	1/20	0.42

▸	SORT1	Q99523	2/20	0.41

▸	SLC6A2	P23975	1/20	0.41

▸	F2	P00734	1/20	0.41

▸	ACE	P12821	1/20	0.41

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
SCHEMBL9436235	1.00	CALCRL (0.45)	CALCRLRAMP3CALCRPTPN1NTSR1
SCHEMBL10691557	0.96	CALCRL (0.47)	CALCRLRAMP3CALCR
SCHEMBL10693642	0.94	RAMP3 (0.49)	CALCRLRAMP3CALCR
SCHEMBL30495748	0.87	CALCRL (0.52)	CALCRLRAMP3CALCR
SCHEMBL29933803	0.86	GRB2 (0.48)	CALCRLNTSR1NTSR2GRB2SORT1
SCHEMBL30936189	0.86	KDM1A (0.47)	RAMP3CALCRNTSR1NTSR2SORT1
SCHEMBL30399486	0.86	KDM1A (0.47)	RAMP3CALCRNTSR1NTSR2SORT1
SCHEMBL30402067	0.86	KDM1A (0.47)	RAMP3CALCRNTSR1NTSR2SORT1
SCHEMBL30402058	0.86	NTSR1 (0.48)	NTSR1NTSR2SORT1
SCHEMBL29612048	0.85	NTSR1 (0.49)	NTSR1NTSR2SORT1

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 2 patents. claimed = in the patent's claims; disclosed = body only.

Patent	Title	Assignee	Published	Priority	Filing	Country	Status
EP-0580649-A1	PLANT PROMOTER INVOLVED IN CONTROLLING LIPID BIOSYNTHESIS IN SEEDS	UNILEVER PLC (GB)	1994-02-02	—	—	EP	disclosed
WO-1992018634-A1	PLANT PROMOTER INVOLVED IN CONTROLLING LIPID BIOSYNTHESIS IN SEEDS	UNILEVER PLC (GB)	1992-10-29	—	—	WO	disclosed