SCHEMBL4728191

CCC(C)C(NC(=O)C(CC(N)=O)NC(=O)C(NC(=O)C(C)NC(=O)C(CCCCN)NC(=O)C(NC(=O)C(Cc1ccccc1)NC(=O)C(CC(=O)O)NC(=O)C(N)CCCNC(=N)N)C(C)O)C(C)O)C(=O)NC(CCCNC(=N)N)C(=O)NC(CC(C)C)C(=O)NC(CCCNC(=N)N)C(=O)NC(Cc1ccccc1)C(=O)NC(CC(C)C)C(=O)NC(CCCNC(=N)N)C(=O)O

nearest known ligand 0.65

Predicted protein targets (top 10)

	gene	UniProt	supporting neighbours	confidence
▸	VIPR2	P41587	9/20	0.65

▸	VIPR1	P32241	8/20	0.65

▸	BACE1	P56817	1/20	0.57

▸	MAPK8	P45983	1/20	0.55

▸	MAPK9	P45984	1/20	0.55

▸	MAPK10	P53779	1/20	0.55

▸	KEAP1	Q14145	1/20	0.52

▸	HRAS	P01112	1/20	0.52

▸	KRAS	P01116	1/20	0.52

▸	SOS1	Q07889	1/20	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
SCHEMBL4728204	1.00	VIPR2 (0.65)	VIPR2VIPR1BACE1MAPK8MAPK9
SCHEMBL29883009	0.93	VIPR1 (0.62)	VIPR2VIPR1BACE1
SCHEMBL30929948	0.93	VIPR2 (0.70)	VIPR2VIPR1BACE1KEAP1
SCHEMBL30929981	0.92	VIPR2 (0.70)	VIPR2VIPR1BACE1KEAP1
SCHEMBL31307259	0.92	VIPR2 (0.59)	VIPR2VIPR1KEAP1KRAS
SCHEMBL30507401	0.91	BACE1 (0.59)	VIPR2VIPR1BACE1MAPK8MAPK9
SCHEMBL29453324	0.91	VIPR2 (0.66)	VIPR2VIPR1BACE1
SCHEMBL38664796	0.90	VIPR1 (0.67)	VIPR2VIPR1
SCHEMBL31255179	0.90	VIPR2 (0.69)	VIPR2VIPR1BACE1
SCHEMBL30929947	0.90	VIPR2 (0.68)	VIPR2VIPR1KEAP1

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-2008027533-A2	PERSONAL CARE COMPOSITIONS COMPRISING PEAR SEED EXTRACT	THE PROCTER & GAMBLE COMPANY (US)	2008-03-06	—	—	WO	disclosed