SCHEMBL19003321

C[C@H]1CN(C(=O)CC2CC2)CC(=O)N[C@@H](CCC(=O)O)CN(C(=O)CCC2CCCCC2)CC(=O)N[C@@H](Cc2ccccc2)CN(CC(N)=O)C(=O)CCSCc2ccc(cc2)C(=O)N[C@@H](Cc2ccccc2)CN(C(=O)CCC(=O)O)CC(=O)N1

nearest known ligand 0.75

Predicted protein targets (top 7)

	gene	UniProt	supporting neighbours	confidence
▸	EPHA2	P29317	2/20	0.75

▸	PTGER2	P43116	2/20	0.57

▸	EGFR	P00533	2/20	0.57

▸	NFKBIA	P25963	1/20	0.48

▸	AKT1	P31749	1/20	0.48

▸	USP19	O94966	1/20	0.31

▸	EHD1	Q9H4M9	1/20	0.30

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
SCHEMBL19003322	1.00	EPHA2 (0.75)	EPHA2PTGER2EGFRNFKBIAAKT1
SCHEMBL22730944	0.86	EPHA2 (0.65)	EPHA2PTGER2EGFRNFKBIAAKT1
SCHEMBL22328117	0.86	EPHA2 (1.00)	EPHA2PTGER2EGFRNFKBIAAKT1
SCHEMBL19003330	0.84	PTGER2 (0.69)	EPHA2PTGER2EGFRNFKBIAAKT1
SCHEMBL23598456	0.83	PTGER2 (0.69)	EPHA2PTGER2EGFRNFKBIAAKT1
SCHEMBL23598453	0.83	EGFR (0.65)	EPHA2PTGER2EGFRNFKBIAAKT1
SCHEMBL24548693	0.83	EGFR (0.65)	EPHA2PTGER2EGFRNFKBIAAKT1
SCHEMBL19003389	0.83	EGFR (0.65)	EPHA2PTGER2EGFRNFKBIAAKT1
SCHEMBL23598434	0.83	PTGER2 (0.63)	EPHA2PTGER2EGFRNFKBIAAKT1
SCHEMBL19003388	0.83	PTGER2 (0.63)	EPHA2PTGER2EGFRNFKBIAAKT1

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-2017106505-A1	GAS5 BINDING COMPOUNDS, FORMULATIONS, AND USES THEREOF	UNIVERSITY OF SOUTH FLORIDA (US)	2017-06-22	—	—	WO	disclosed